SCHEMBL11768172

SCHEMBL11768172

CCC[S+]([O-])c1cc(OC)c2oc3ccc(C(=O)O)cc3c(=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 9/20 0.46
▸ LTB4R Q15722 5/20 0.46
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PTGER1 P34995 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ PTGER2 P43116 1/20 0.43
▸ PTGDR Q13258 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ AKR1B1 P15121 1/20 0.42
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MAOA P21397 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ LTB4R2 Q9NPC1 2/20 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
SCHEMBL11774823 0.92 TTR (0.47) TTRLTB4RKDM4EALDH1A1MEN1
SCHEMBL11766622 0.91 LTB4R (0.47) TTRLTB4RKDM4EALDH1A1MEN1
SCHEMBL11770435 0.90 LTB4R (0.51) TTRLTB4RKDM4EALDH1A1MEN1
SCHEMBL11771001 0.89 KDM4E (0.53) TTRLTB4RKDM4EALDH1A1MEN1
SCHEMBL11493293 0.89 LTB4R (0.49) TTRLTB4RKDM4EALDH1A1MEN1
SCHEMBL11770714 0.89 LTB4R (0.58) TTRLTB4RKDM4EALDH1A1MEN1
SCHEMBL11768947 0.87 TTR (0.48) TTRLTB4RKDM4EALDH1A1MEN1
SCHEMBL11767751 0.87 TTR (0.48) TTRLTB4RKDM4EALDH1A1MEN1
SCHEMBL11768661 0.87 TTR (0.55) TTRLTB4RKDM4EALDH1A1MEN1
SCHEMBL11774436 0.87 TTR (0.48) TTRLTB4RKDM4EALDH1A1MEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3989721-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-11-02 — — US disclosed
US-3989720-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-11-02 — — US disclosed
US-3988352-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-10-26 — — US disclosed
US-3979414-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-09-07 — — US disclosed
US-3965115-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-06-22 — — US disclosed
US-3963753-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-06-15 — — US disclosed
US-3963752-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-06-15 — — US disclosed
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