SCHEMBL11860749

SCHEMBL11860749

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

nearest known ligand 0.63

Predicted protein targets (top 20)

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
▸ AKR1B1 P15121 1/20 0.61
▸ TTR P02766 10/20 0.58
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ LTB4R Q15722 1/20 0.42
▸ MMP12 P39900 5/20 0.41
▸ MMP13 P45452 3/20 0.41
▸ MMP2 P08253 1/20 0.40

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
SCHEMBL11867136 0.89 TP53 (0.58) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11872502 0.86 AKR1B1 (0.65) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11864976 0.86 KDM4E (0.61) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11861511 0.86 AKR1B1 (0.69) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11866266 0.85 TP53 (0.60) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11868923 0.85 TTR (0.63) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11863812 0.85 TTR (0.63) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11866390 0.84 AKR1B1 (0.62) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11864723 0.84 TTR (0.62) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11873296 0.84 TTR (0.64) 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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