SCHEMBL8929974

SCHEMBL8929974

CC1=C(C(=O)O)SCCS1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL12172832 0.75
SCHEMBL13005846 0.73
SCHEMBL11639802 0.70 FOLH1 (0.32)
SCHEMBL12835333 0.70 HCAR2 (0.31)
SCHEMBL11653386 0.70
SCHEMBL7833221 0.69 MAPK1 (0.57) MAPK1HSD17B10
SCHEMBL15602700 0.68 TDP1 (0.30)
SCHEMBL29957830 0.68
SCHEMBL11632854 0.67 MAPK1 (0.30) MAPK1
SCHEMBL11635514 0.65 ALDH1A1 (0.39) MAPK1HSD17B10

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5693827-A Treatment of HIV infections and compounds useful therein UNIROYAL CHEMICAL COMPANY, INC. 1997-12-02 US disclosed
EP-0497816-B1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD (CA) 1995-05-17 EP disclosed
US-5268389-A Containing a benzene ring UNIROYAL CHEMICAL COMPANY, INC. (US) 1993-12-07 US disclosed
EP-0497816-A1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN. UNIROYAL CHEMICAL LTD (CA) 1992-08-12 EP disclosed
WO-1991005761-A1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD./UNIROYAL CHEMICAL LTEE (CA) 1991-05-02 WO disclosed
US-4109006-A 1,4-DITHIINOXIDES WARREN-TEED LABORATORIES, INC. (US) 1978-08-22 US disclosed
US-4097580-A FUNGICIDES, BACTERICIDES, VIRICIDES UNIROYAL, INC. (US) 1978-06-27 US disclosed
US-4004018-A FUNGICIDES, BACTERICIDES, VIRICIDES UNIROYAL INC. (US) 1977-01-18 US disclosed