SCHEMBL11812781

SCHEMBL11812781

CCCSc1cc(CCC)c2oc3ccc(C(N)=O)cc3c(=O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 6/20 0.39
▸ TTR P02766 5/20 0.38
▸ HTR1A P08908 2/20 0.37
▸ HTR1D P28221 2/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ LTB4R2 Q9NPC1 3/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAP1LC3B Q9GZQ8 1/20 0.32
▸ MAP1LC3A Q9H492 1/20 0.32
▸ AKR1B1 P15121 1/20 0.32

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
SCHEMBL11813838 0.87 TTR (0.39) LTB4RTTRHTR1AHTR1DHTR2C
SCHEMBL11768520 0.80 TTR (0.50) LTB4RTTRNPC1RAB9ALTB4R2
SCHEMBL11808742 0.78 TTR (0.40) LTB4RTTRHTR1AHTR1DHTR2C
SCHEMBL11767062 0.78 NPC1 (0.37) LTB4RTTRHTR1AHTR1DHTR2C
SCHEMBL11772658 0.78 TTR (0.50) LTB4RTTRNPC1RAB9ALTB4R2
SCHEMBL11766679 0.74 LTB4R (0.50) LTB4RTTRNPC1RAB9ALTB4R2
SCHEMBL11770751 0.73 TTR (0.53) LTB4RTTRNPC1RAB9ALTB4R2
SCHEMBL11772891 0.73 TTR (0.53) LTB4RTTRNPC1RAB9ALTB4R2
SCHEMBL11774586 0.73 LTB4R (0.52) LTB4RTTRLTB4R2CYP2C9HSD17B10
SCHEMBL11771303 0.73 TTR (0.52) LTB4RTTRNPC1RAB9ALTB4R2

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-3951618-A Method of use of, and compositions containing, disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-04-20 — — US disclosed
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