SCHEMBL11861403

SCHEMBL11861403

CCCCCSc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 2/20 0.56
▸ TTR P02766 9/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ PTGER1 P34995 1/20 0.53
▸ PTGER3 P43115 1/20 0.53
▸ PTGER2 P43116 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ PTGDR Q13258 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ AKR1B1 P15121 1/20 0.46
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PLK1 P53350 4/20 0.41
▸ MAP1LC3B Q9GZQ8 1/20 0.41
▸ MAP1LC3A Q9H492 1/20 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
SCHEMBL11861965 0.97 TTR (0.54) LTB4RTTRKDM4EMEN1ALDH1A1
SCHEMBL11868878 0.92 TTR (0.56) LTB4RTTRKDM4EMEN1ALDH1A1
SCHEMBL11865259 0.87 TTR (0.61) LTB4RTTRKDM4EMEN1ALDH1A1
SCHEMBL10454201 0.82 TTR (0.64) LTB4RTTRKDM4EMEN1ALDH1A1
SCHEMBL11860702 0.82 KDM4E (0.61) LTB4RTTRKDM4EMEN1ALDH1A1
SCHEMBL11770946 0.82 LTB4R (0.52) LTB4RTTRKDM4EMEN1ALDH1A1
SCHEMBL11865511 0.81 TTR (0.63) LTB4RTTRKDM4EMEN1ALDH1A1
SCHEMBL11867716 0.81 LTB4R (0.59) LTB4RTTRKDM4EMEN1ALDH1A1
SCHEMBL11863092 0.81 LTB4R (0.59) LTB4RTTRKDM4EMEN1ALDH1A1
SCHEMBL11862585 0.81 TP53 (0.69) LTB4RTTRKDM4EMEN1ALDH1A1

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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