SCHEMBL11858984

SCHEMBL11858984

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 11/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ PTGER1 P34995 1/20 0.55
▸ PTGER3 P43115 1/20 0.55
▸ PTGER2 P43116 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ PTGDR Q13258 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ AKR1B1 P15121 1/20 0.50
▸ LTB4R Q15722 3/20 0.48
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ PTGER4 P35408 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38

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
SCHEMBL11866688 0.93 TTR (0.53) TTRKDM4EMEN1ALDH1A1TP53
SCHEMBL11865489 0.92 LTB4R (0.52) TTRKDM4EMEN1ALDH1A1TP53
SCHEMBL11858285 0.92 TTR (0.56) TTRKDM4EMEN1ALDH1A1TP53
SCHEMBL11861397 0.90 NPC1 (0.44) TTRKDM4EMEN1ALDH1A1TP53
SCHEMBL11866838 0.86 KDM4E (0.58) TTRKDM4EMEN1ALDH1A1TP53
SCHEMBL11859214 0.85 TTR (0.60) TTRKDM4EMEN1ALDH1A1TP53
SCHEMBL11367593 0.84 TTR (0.59) TTRKDM4EMEN1ALDH1A1TP53
SCHEMBL11872913 0.84 TTR (0.59) TTRKDM4EMEN1ALDH1A1TP53
SCHEMBL11872123 0.84 TTR (0.59) TTRKDM4EMEN1ALDH1A1TP53
SCHEMBL11858573 0.84 TTR (0.59) TTRKDM4EMEN1ALDH1A1TP53

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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