SCHEMBL11766947

SCHEMBL11766947

COC(=O)c1ccc2oc3c(OCS)cc(OCS)cc3c(=O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.40
▸ RAB9A P51151 6/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.40
▸ CREBBP Q92793 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ LTB4R Q15722 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ MET P08581 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CYP2C9 P11712 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
SCHEMBL11767299 0.88 TTR (0.49) ALDH1A1KDM4EHPGDKMT2ALTB4R
SCHEMBL11865539 0.81 ALDH1A1 (0.55) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL11766941 0.78 KDM4E (0.39) NPC1RAB9ARXFP1CREBBPALDH1A1
SCHEMBL69937 0.77 NPC1 (0.58) NPC1RAB9ACREBBPALDH1A1KDM4E
SCHEMBL11768716 0.76 TTR (0.52) ALDH1A1KDM4EHPGDKMT2ALTB4R
SCHEMBL11766534 0.76 NPC1 (0.37) NPC1RAB9ARXFP1CREBBPALDH1A1
SCHEMBL11768898 0.75 LTB4R (0.56) ALDH1A1KDM4EHPGDKMT2ALTB4R
SCHEMBL11768779 0.74 KDM4E (0.52) ALDH1A1KDM4EHPGDKMT2ALTB4R
SCHEMBL11768290 0.74 LTB4R (0.63) ALDH1A1KDM4EHPGDKMT2ALTB4R
SCHEMBL11766422 0.74 LTB4R (0.61) ALDH1A1KDM4EHPGDKMT2ALTB4R

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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