SCHEMBL11746200

SCHEMBL11746200

O=C(CCCN1CCCCC1)c1ccc2c(c1)Oc1ccc(C(=O)CCCN3CCCCC3)cc1S2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ MAOB P27338 3/20 0.54
▸ HPGD P15428 1/20 0.54
▸ MAPT P10636 2/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ TP53 P04637 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.43
▸ CYP2J2 P51589 1/20 0.43
▸ ALDH3A1 P30838 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL11748266 0.92 KDM4E (0.55) ALDH1A1MAOBHPGDMAPTHSD17B10
SCHEMBL11729199 0.81 L3MBTL1 (0.61) ALDH1A1MAOBHPGDMAPTHSD17B10
SCHEMBL11732688 0.81 KDM4E (0.61) ALDH1A1MAOBHPGDMAPTHSD17B10
SCHEMBL11794977 0.79 L3MBTL1 (0.59) ALDH1A1MAOBHPGDMAPTHSD17B10
Hydrochloric Acid SCHEMBL11871520 0.79 KDM4E (0.59) ALDH1A1MAOBHPGDMAPTHSD17B10
SCHEMBL11751985 0.77 KDM4E (0.67) ALDH1A1MAOBHPGDMAPTHSD17B10
SCHEMBL11748966 0.77 KDM4E (0.67) ALDH1A1MAOBHPGDMAPTHSD17B10
SCHEMBL11817359 0.76 CTNNB1 (0.39) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL11865224 0.76 KDM4E (0.65) ALDH1A1MAOBHPGDMAPTHSD17B10
SCHEMBL11551512 0.75 KDM4E (0.54) ALDH1A1MAOBHPGDMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4041165-A TREATING DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1977-08-09 — — US disclosed
US-3937833-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-02-10 — — US disclosed
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