SCHEMBL11812866

SCHEMBL11812866

CCC(C)OC(=O)c1ccc2oc3c(SC)cc(SC)cc3c(=O)c2c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ PTGER1 P34995 1/20 0.37
▸ PTGER3 P43115 1/20 0.37
▸ PTGER2 P43116 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PTGDR Q13258 1/20 0.37
▸ TTR P02766 5/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ LTB4R Q15722 2/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.32
▸ AKR1B1 P15121 1/20 0.31
▸ ADORA2B P29275 1/20 0.30

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
SCHEMBL11814835 0.90 ALDH1A1 (0.42) HSD17B10KDM4EMEN1ALDH1A1TP53
SCHEMBL11812931 0.85 RAB9A (0.41) HSD17B10KDM4EMEN1ALDH1A1TP53
SCHEMBL11813487 0.85 ALDH1A1 (0.38) HSD17B10KDM4EMEN1ALDH1A1TP53
SCHEMBL11766614 0.84 NPC1 (0.40) HSD17B10KDM4EMEN1ALDH1A1TP53
SCHEMBL11814488 0.84 MAOB (0.40) HSD17B10KDM4EMEN1ALDH1A1TP53
SCHEMBL11811531 0.81 LTB4R (0.45) ALDH1A1CYP2C9TTRNPC1RAB9A
SCHEMBL11770500 0.81 TTR (0.52) HSD17B10KDM4EMEN1ALDH1A1TP53
SCHEMBL11814409 0.80 TTR (0.51) HSD17B10KDM4EMEN1ALDH1A1TP53
SCHEMBL11812377 0.80 TTR (0.51) HSD17B10KDM4EMEN1ALDH1A1TP53
SCHEMBL11818778 0.80 TTR (0.51) HSD17B10KDM4EMEN1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3951618-A Method of use of, and compositions containing, disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-04-20 — — US disclosed
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