SCHEMBL9712225

SCHEMBL9712225

O=C1CCC(c2ccco2)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 2/20 0.40
CHRM5 P08912 10/20 0.40
CHRM3 P20309 10/20 0.40
CHRM1 P11229 9/20 0.40
CHRM2 P08172 9/20 0.40
CHRM4 P08173 9/20 0.40
APOBEC3A P31941 1/20 0.39
RECQL P46063 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27635776 0.79 MAPT (0.35) POLBMAPTTDP1KMT2ANPSR1
SCHEMBL9828621 0.71 CHRM5 (0.47) POLBMAPTTDP1KMT2ANPSR1
SCHEMBL982856 0.71 TSHR (0.46) ALDH1A1KDM4EHPGDHSD17B10CA1
SCHEMBL7339250 0.71 TSHR (0.46) ALDH1A1KDM4EHPGDHSD17B10CA1
SCHEMBL9012682 0.71 TSHR (0.46) ALDH1A1KDM4EHPGDHSD17B10CA1
SCHEMBL3438539 0.69 MAPT (0.61) POLBMAPTTDP1KMT2ANPSR1
SCHEMBL11689734 0.69 MAPT (0.46) POLBMAPTTDP1KMT2ANPSR1
SCHEMBL434835 0.69
SCHEMBL1932849 0.68 ESR2 (0.62)
SCHEMBL1932846 0.68 ESR2 (0.62)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992009636-A1 SKIN PROTECTIVE COMPOSITIONS AND METHOD OF INHIBITING SKIN IRRITATION BAKER CUMMINS DERMATOLOGICALS, INC. (US) 1992-06-11 WO disclosed
EP-0386219-A4 METHOD OF TREATING INFLAMMATION IN MAMMALS UTILIZING KETOBUTYROLACTONES AND FURYLBUTYROLACTONES 1991-11-13 EP disclosed
EP-0386219-A1 METHOD OF TREATING INFLAMMATION IN MAMMALS UTILIZING KETOBUTYROLACTONES AND FURYLBUTYROLACTONES THERACEL CORPORATION (US) 1990-09-12 EP disclosed
EP-0386219-A1 METHOD OF TREATING INFLAMMATION IN MAMMALS UTILIZING KETOBUTYROLACTONES AND FURYLBUTYROLACTONES THERACEL CORPORATION (US) 1990-09-12 EP disclosed
WO-1990001930-A1 METHOD OF TREATING INFLAMMATION IN MAMMALS UTILIZING KETOBUTYROLACTONES AND FURYLBUTYROLACTONES THERACEL CORPORATION (US) 1990-03-08 WO disclosed
WO-1990001930-A1 METHOD OF TREATING INFLAMMATION IN MAMMALS UTILIZING KETOBUTYROLACTONES AND FURYLBUTYROLACTONES THERACEL CORPORATION (US) 1990-03-08 WO disclosed
US-4883813-A Method of treating inflammation in mammals utilizing ketobutyrolactones and furylbutyrolactones AMERICAN BIOTECHNOLOGY COMPANY (US) 1989-11-28 US disclosed
US-4883813-A Method of treating inflammation in mammals utilizing ketobutyrolactones and furylbutyrolactones AMERICAN BIOTECHNOLOGY COMPANY (US) 1989-11-28 US disclosed
US-4883813-A Method of treating inflammation in mammals utilizing ketobutyrolactones and furylbutyrolactones AMERICAN BIOTECHNOLOGY COMPANY (US) 1989-11-28 US disclosed
EP-0123446-B1 2-FURYLBUTYROLACTONE DERIVATIVES, THEIR PREPARATION, COMPOSITIONS CONTAINING THEM, AND THEIR USE FOR THE MODULATION OF THE IMMUNE SYSTEM IN MAMMALS NATIONAL FOUNDATION FOR CANCER RESEARCH, INC. (US) 1989-05-31 EP disclosed
EP-0123446-B1 2-FURYLBUTYROLACTONE DERIVATIVES, THEIR PREPARATION, COMPOSITIONS CONTAINING THEM, AND THEIR USE FOR THE MODULATION OF THE IMMUNE SYSTEM IN MAMMALS NATIONAL FOUNDATION FOR CANCER RESEARCH, INC. (US) 1989-05-31 EP disclosed
US-4620014-A IMMUNOSUPPESSIVE AGENTS NATIONAL FOUNDATION FOR CANCER RESEARCH (US) 1986-10-28 US disclosed
US-4620014-A IMMUNOSUPPESSIVE AGENTS NATIONAL FOUNDATION FOR CANCER RESEARCH (US) 1986-10-28 US disclosed
US-4518611-A 2-Furylbutyrolactone modulation of the immune system in mammals NATIONAL FOUNDATION FOR CANCER RESEARCH, INC. (US) 1985-05-21 US disclosed
EP-0123446-A1 2-Furylbutyrolactone derivatives, their preparation, compositions containing them, and their use for the modulation of the immune system in mammals NATIONAL FOUNDATION FOR CANCER RESEARCH, INC. (US) 1984-10-31 EP disclosed
EP-0123446-A1 2-Furylbutyrolactone derivatives, their preparation, compositions containing them, and their use for the modulation of the immune system in mammals NATIONAL FOUNDATION FOR CANCER RESEARCH, INC. (US) 1984-10-31 EP disclosed