SCHEMBL11492837

SCHEMBL11492837

CCCc1cc(OCCO)cc2c(=O)c3cc(C(=O)O)ccc3oc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 7/20 0.51
▸ LTB4R2 Q9NPC1 3/20 0.47
▸ TTR P02766 6/20 0.47
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ PTGER1 P34995 1/20 0.44
▸ PTGER3 P43115 1/20 0.44
▸ PTGER2 P43116 1/20 0.44
▸ PTGDR Q13258 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ACSL1 P33121 2/20 0.41
▸ ACSL6 Q9UKU0 2/20 0.41

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
SCHEMBL11488608 0.93 TTR (0.49) LTB4RLTB4R2TTRKMT2AKDM4E
SCHEMBL11794791 0.90 LTB4R (0.58) LTB4RLTB4R2TTRKMT2AKDM4E
SCHEMBL11485969 0.85 TTR (0.54) LTB4RLTB4R2TTRKMT2AKDM4E
SCHEMBL11486616 0.85 LTB4R (0.50) LTB4RLTB4R2TTRKMT2AKDM4E
SCHEMBL11492830 0.84 LTB4R (0.47) LTB4RLTB4R2TTRKMT2AKDM4E
SCHEMBL11493899 0.84 TTR (0.47) LTB4RLTB4R2TTRKMT2AKDM4E
SCHEMBL11492234 0.83 KDM4E (0.48) LTB4RLTB4R2TTRKMT2AKDM4E
SCHEMBL11488604 0.83 TTR (0.46) LTB4RLTB4R2TTRKMT2AKDM4E
SCHEMBL11492240 0.83 TTR (0.46) LTB4RLTB4R2TTRKMT2AKDM4E
SCHEMBL11485965 0.82 KDM4E (0.45) LTB4RLTB4R2TTRKMT2AKDM4E

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-4217361-A Disubstituted xanthone-2-carboxylic acid antiallergy agents SYNTEX (U.S.A.) INC. (US) 1980-08-12 — — US disclosed
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