SCHEMBL11867136

SCHEMBL11867136

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ PTGER1 P34995 1/20 0.58
▸ PTGER3 P43115 1/20 0.58
▸ PTGER2 P43116 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ PTGDR Q13258 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ AKR1B1 P15121 1/20 0.57
▸ TTR P02766 11/20 0.53
▸ LTB4R Q15722 2/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MMP12 P39900 3/20 0.38
▸ MMP13 P45452 1/20 0.38

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
SCHEMBL11860749 0.89 KDM4E (0.63) TP53KDM4EMEN1ALDH1A1CYP2C9
SCHEMBL11866390 0.85 AKR1B1 (0.62) TP53KDM4EMEN1ALDH1A1CYP2C9
SCHEMBL11866266 0.83 TP53 (0.60) TP53KDM4EMEN1ALDH1A1CYP2C9
SCHEMBL11872502 0.82 AKR1B1 (0.65) TP53KDM4EMEN1ALDH1A1CYP2C9
SCHEMBL11864976 0.82 KDM4E (0.61) TP53KDM4EMEN1ALDH1A1CYP2C9
SCHEMBL11861511 0.82 AKR1B1 (0.69) TP53KDM4EMEN1ALDH1A1CYP2C9
SCHEMBL11863355 0.82 AKR1B1 (0.59) TP53KDM4EMEN1ALDH1A1CYP2C9
SCHEMBL11770413 0.82 AKR1B1 (0.51) TP53KDM4EMEN1ALDH1A1CYP2C9
SCHEMBL11862658 0.81 AKR1B1 (0.58) TP53KDM4EMEN1ALDH1A1CYP2C9
SCHEMBL11861274 0.81 AKR1B1 (0.67) TP53KDM4EMEN1ALDH1A1CYP2C9

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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