SCHEMBL11867353

SCHEMBL11867353

CCC(C)C(=O)c1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ TP53 P04637 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ HPGD P15428 1/20 0.63
▸ PTGER1 P34995 1/20 0.63
▸ PTGER3 P43115 1/20 0.63
▸ PTGER2 P43116 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ PTGDR Q13258 1/20 0.63
▸ HSD17B10 Q99714 1/20 0.63
▸ TTR P02766 11/20 0.60
▸ AKR1B1 P15121 1/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ LTB4R Q15722 2/20 0.47
▸ PTGER4 P35408 1/20 0.39
▸ TBK1 Q9UHD2 1/20 0.39

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
SCHEMBL11868304 0.87 KDM4E (0.69) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11322640 0.84 TTR (0.80) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11864035 0.82 TTR (0.65) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11874006 0.82 KDM4E (0.65) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11863211 0.82 TTR (0.69) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11865282 0.81 CYP2C9 (0.65) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11868149 0.81 TTR (0.64) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11858170 0.81 KDM4E (0.60) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11857659 0.80 NPC1 (0.71) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11871622 0.80 KDM4E (0.60) KDM4EMEN1ALDH1A1TP53CYP2C9

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-3949084-A Novel substituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-04-06 — — US disclosed
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