SCHEMBL11775677

SCHEMBL11775677

CCCCOC(C)c1cc(C(C)C)c2oc3ccc(C(=O)O)cc3c(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 7/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ PTGER1 P34995 1/20 0.47
▸ PTGER3 P43115 1/20 0.47
▸ PTGER2 P43116 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PTGDR Q13258 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TTR P02766 8/20 0.45
▸ AKR1B1 P15121 1/20 0.39
▸ LTB4R2 Q9NPC1 3/20 0.39
▸ RXRA P19793 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ABCC4 O15439 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL11770731 0.91 KDM4E (0.47) LTB4RKDM4ETP53MEN1ALDH1A1
SCHEMBL11772377 0.90 KDM4E (0.47) LTB4RKDM4ETP53MEN1ALDH1A1
SCHEMBL11766459 0.86 KDM4E (0.48) LTB4RKDM4ETP53MEN1ALDH1A1
SCHEMBL11773234 0.86 KDM4E (0.50) LTB4RKDM4ETP53MEN1ALDH1A1
SCHEMBL11768207 0.84 LTB4R (0.49) LTB4RKDM4ETP53MEN1ALDH1A1
SCHEMBL11768107 0.84 KDM4E (0.48) LTB4RKDM4ETP53MEN1ALDH1A1
SCHEMBL11765718 0.83 KDM4E (0.47) LTB4RKDM4ETP53MEN1ALDH1A1
SCHEMBL11786138 0.83 KDM4E (0.50) LTB4RKDM4ETP53MEN1ALDH1A1
SCHEMBL11766644 0.83 TTR (0.49) LTB4RKDM4ETP53MEN1ALDH1A1
SCHEMBL11769512 0.82 KDM4E (0.54) LTB4RKDM4ETP53MEN1ALDH1A1

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-3979414-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-09-07 — — US disclosed
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