SCHEMBL11808532

SCHEMBL11808532

CCCCOc1cc(SC)c2oc3ccc(C(=O)O)cc3c(=O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 4/20 0.53
▸ TP53 P04637 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ PTGER1 P34995 1/20 0.47
▸ PTGER3 P43115 1/20 0.47
▸ PTGER2 P43116 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PTGDR Q13258 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TTR P02766 3/20 0.47
▸ ACSL1 P33121 2/20 0.46
▸ ACSL6 Q9UKU0 2/20 0.46
▸ TSHR P16473 1/20 0.45
▸ PLA2G4B P0C869 1/20 0.44
▸ RARB P10826 3/20 0.43
▸ PLA2G2A P14555 1/20 0.43

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
SCHEMBL11814861 0.98 LTB4R (0.55) LTB4RTP53KDM4EMEN1ALDH1A1
SCHEMBL11768302 0.97 LTB4R (0.57) LTB4RTP53KDM4EMEN1ALDH1A1
SCHEMBL11772872 0.95 LTB4R (0.49) LTB4RTP53KDM4EMEN1ALDH1A1
SCHEMBL11816756 0.91 LTB4R (0.52) LTB4RTP53KDM4EMEN1ALDH1A1
SCHEMBL11485965 0.91 KDM4E (0.45) LTB4RTP53KDM4EMEN1ALDH1A1
SCHEMBL11775457 0.91 TTR (0.49) LTB4RTP53KDM4EMEN1ALDH1A1
SCHEMBL11767255 0.88 LTB4R (0.48) LTB4RTP53TTRACSL1ACSL6
SCHEMBL11768039 0.88 LTB4R (0.48) LTB4RTP53TTRACSL1ACSL6
SCHEMBL11767469 0.88 LTB4R (0.48) LTB4RALDH1A1ACSL1ACSL6
SCHEMBL11769089 0.88 LTB4R (0.48) LTB4RTP53TTRACSL1ACSL6

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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