SCHEMBL11770388

SCHEMBL11770388

COC(=O)c1ccc2oc3c([S+](C)[O-])cc([S+](C)[O-])cc3c(=O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 5/20 0.40
▸ AKR1B1 P15121 1/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PTGER1 P34995 1/20 0.38
▸ PTGER3 P43115 1/20 0.38
▸ PTGER2 P43116 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PTGDR Q13258 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ TNKS O95271 1/20 0.37
▸ POLB P06746 1/20 0.35
▸ THRB P10828 1/20 0.35

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
SCHEMBL11767158 0.89 TTR (0.51) TTRAKR1B1NPC1RAB9AKDM4E
SCHEMBL11783558 0.88 ALDH1A1 (0.43) TTRAKR1B1NPC1RAB9AKDM4E
SCHEMBL11768555 0.88 RAB9A (0.40) TTRAKR1B1NPC1RAB9AKDM4E
SCHEMBL11768976 0.87 TTR (0.50) TTRAKR1B1NPC1RAB9AKDM4E
SCHEMBL11771233 0.87 TTR (0.50) TTRAKR1B1NPC1RAB9AKDM4E
SCHEMBL11768196 0.87 TTR (0.50) TTRAKR1B1NPC1RAB9AKDM4E
SCHEMBL11770436 0.87 TTR (0.50) TTRAKR1B1NPC1RAB9AKDM4E
SCHEMBL11769427 0.86 LTB4R (0.40) TTRAKR1B1NPC1RAB9AKDM4E
SCHEMBL11768188 0.86 TTR (0.43) TTRAKR1B1NPC1RAB9AKDM4E
SCHEMBL11768970 0.86 TTR (0.43) TTRAKR1B1NPC1RAB9AKDM4E

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