SCHEMBL11861397

SCHEMBL11861397

CCC[S+]([O-])c1ccc2c(=O)c3cc(C(N)=O)ccc3oc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 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
▸ KMT2A Q03164 1/20 0.43
▸ PTGDR Q13258 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TTR P02766 6/20 0.42
▸ AKR1B1 P15121 1/20 0.39
▸ LTB4R Q15722 3/20 0.38
▸ HTR1A P08908 2/20 0.35
▸ HTR1D P28221 2/20 0.35
▸ HTR2C P28335 2/20 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
SCHEMBL11858984 0.90 TTR (0.55) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL11866688 0.83 TTR (0.53) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL11770648 0.83 NPC1 (0.39) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL11865489 0.82 LTB4R (0.52) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL11858285 0.81 TTR (0.56) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL11767062 0.81 NPC1 (0.37) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL11337294 0.80 TTR (0.60) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL11866838 0.76 KDM4E (0.58) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL11859214 0.75 TTR (0.60) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL11863181 0.75 ALDH1A1 (0.43) NPC1RAB9AKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3949084-A Novel substituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-04-06 — — US disclosed
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