SCHEMBL11766512

SCHEMBL11766512

CCCCCCCCOc1cc(SC)cc2c(=O)c3cc(C(=O)OCCCCC)ccc3oc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 5/20 0.52
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ESR1 P03372 3/20 0.38
▸ AKR1C4 P17516 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ LTB4R2 Q9NPC1 2/20 0.38
▸ PGAM1 P18669 1/20 0.38
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37

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
SCHEMBL11767315 1.00 LTB4R (0.52) LTB4RMAPTNPC1RAB9AALDH1A1
SCHEMBL11768877 0.95 LTB4R (0.51) LTB4RNPC1RAB9ALTB4R2PGAM1
SCHEMBL11771151 0.95 LTB4R (0.51) LTB4RNPC1RAB9ALTB4R2PGAM1
SCHEMBL11769105 0.95 LTB4R (0.51) LTB4RNPC1RAB9ALTB4R2PGAM1
SCHEMBL11766508 0.93 LTB4R (0.52) LTB4RNPC1RAB9ALTB4R2PGAM1
SCHEMBL11766696 0.93 LTB4R (0.52) LTB4RNPC1RAB9ALTB4R2PGAM1
SCHEMBL11767463 0.93 LTB4R (0.52) LTB4RNPC1RAB9ALTB4R2PGAM1
SCHEMBL11774766 0.93 LTB4R (0.52) LTB4RNPC1RAB9ALTB4R2PGAM1
SCHEMBL11765543 0.91 LTB4R (0.62) LTB4RALDH1A1LTB4R2
SCHEMBL11767218 0.91 LTB4R (0.62) LTB4RALDH1A1LTB4R2

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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