SCHEMBL11857456

SCHEMBL11857456

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGER2 P43116 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ PTGER1 P34995 1/20 0.56
▸ PTGER3 P43115 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ PTGDR Q13258 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ LTB4R Q15722 5/20 0.53
▸ TTR P02766 10/20 0.53
▸ AKR1B1 P15121 1/20 0.46
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PTGER4 P35408 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
SCHEMBL11860736 0.99 LTB4R (0.55) PTGER2KDM4EMEN1ALDH1A1TP53
SCHEMBL11864434 0.99 LTB4R (0.55) PTGER2KDM4EMEN1ALDH1A1TP53
SCHEMBL11870093 0.99 LTB4R (0.55) PTGER2KDM4EMEN1ALDH1A1TP53
SCHEMBL11864129 0.97 KDM4E (0.57) PTGER2KDM4EMEN1ALDH1A1TP53
SCHEMBL11867850 0.93 KDM4E (0.58) PTGER2KDM4EMEN1ALDH1A1TP53
SCHEMBL11858170 0.89 KDM4E (0.60) PTGER2KDM4EMEN1ALDH1A1TP53
SCHEMBL11858185 0.84 KDM4E (0.61) PTGER2KDM4EMEN1ALDH1A1TP53
SCHEMBL11861909 0.84 KDM4E (0.61) PTGER2KDM4EMEN1ALDH1A1TP53
SCHEMBL11867600 0.82 KDM4E (0.67) PTGER2KDM4EMEN1ALDH1A1TP53
SCHEMBL11860964 0.81 KDM4E (0.66) PTGER2KDM4EMEN1ALDH1A1TP53

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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