SCHEMBL11769610

SCHEMBL11769610

CCCCCCOc1cc([S+](C)[O-])c2oc3ccc(C(=O)OCCCCC)cc3c(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 3/20 0.47
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ACSL1 P33121 2/20 0.39
▸ ACSL6 Q9UKU0 2/20 0.39
▸ STS P08842 5/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ AKR1C4 P17516 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ AKR1C1 Q04828 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
SCHEMBL11767569 1.00 LTB4R (0.47) LTB4RMAPTNPC1RAB9AALDH1A1
SCHEMBL11785809 0.95 LTB4R (0.46) LTB4RMAPTNPC1RAB9AACSL1
SCHEMBL11767403 0.95 LTB4R (0.46) LTB4RMAPTNPC1RAB9AACSL1
SCHEMBL11770440 0.95 LTB4R (0.46) LTB4RMAPTNPC1RAB9AACSL1
SCHEMBL11767934 0.93 LTB4R (0.47) LTB4RACSL1ACSL6
SCHEMBL11782338 0.93 LTB4R (0.47) LTB4RACSL1ACSL6
SCHEMBL11770441 0.93 LTB4R (0.47) LTB4RACSL1ACSL6
SCHEMBL11766993 0.93 LTB4R (0.47) LTB4RACSL1ACSL6
SCHEMBL11771592 0.92 LTB4R (0.55) LTB4RALDH1A1ACSL1ACSL6
SCHEMBL11766844 0.92 LTB4R (0.55) LTB4RALDH1A1ACSL1ACSL6

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
Send feedback