SCHEMBL11861965

SCHEMBL11861965

CCCCSc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 9/20 0.54
▸ LTB4R Q15722 4/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ PTGER1 P34995 1/20 0.54
▸ PTGER3 P43115 1/20 0.54
▸ PTGER2 P43116 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ PTGDR Q13258 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ AKR1B1 P15121 1/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MAP1LC3B Q9GZQ8 1/20 0.43
▸ MAP1LC3A Q9H492 1/20 0.43
▸ LTB4R2 Q9NPC1 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
SCHEMBL11861403 0.97 LTB4R (0.56) TTRLTB4RKDM4EMEN1ALDH1A1
SCHEMBL11868878 0.93 TTR (0.56) TTRLTB4RKDM4EMEN1ALDH1A1
SCHEMBL11865259 0.88 TTR (0.61) TTRLTB4RKDM4EMEN1ALDH1A1
SCHEMBL10454201 0.83 TTR (0.64) TTRLTB4RKDM4EMEN1ALDH1A1
SCHEMBL11860702 0.83 KDM4E (0.61) TTRLTB4RKDM4EMEN1ALDH1A1
SCHEMBL11865511 0.82 TTR (0.63) TTRLTB4RKDM4EMEN1ALDH1A1
SCHEMBL11293660 0.82 XDH (0.50) TTRKDM4EMEN1ALDH1A1HPGD
SCHEMBL11862585 0.81 TP53 (0.69) TTRLTB4RKDM4EMEN1ALDH1A1
SCHEMBL11771365 0.81 LTB4R (0.50) TTRLTB4RKDM4EMEN1ALDH1A1
SCHEMBL11374511 0.81 TTR (0.58) TTRLTB4RKDM4EMEN1ALDH1A1

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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