SCHEMBL11488604

SCHEMBL11488604

CCSc1cc(OCCO)cc2c(=O)c3cc(C(=O)O)ccc3oc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 9/20 0.46
▸ LTB4R Q15722 6/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PTGER1 P34995 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ PTGER2 P43116 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PTGDR Q13258 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ LTB4R2 Q9NPC1 3/20 0.42
▸ ACSL1 P33121 2/20 0.41
▸ ACSL6 Q9UKU0 2/20 0.41
▸ AKR1B1 P15121 1/20 0.40

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
SCHEMBL11492830 0.93 LTB4R (0.47) TTRLTB4RKDM4EMEN1ALDH1A1
SCHEMBL11485965 0.90 KDM4E (0.45) TTRLTB4RKDM4EMEN1ALDH1A1
SCHEMBL11816756 0.86 LTB4R (0.52) TTRLTB4RKDM4EMEN1ALDH1A1
SCHEMBL11488608 0.85 TTR (0.49) TTRLTB4RKDM4EMEN1ALDH1A1
SCHEMBL11485969 0.84 TTR (0.54) TTRLTB4RKDM4EMEN1ALDH1A1
SCHEMBL11772872 0.84 LTB4R (0.49) TTRLTB4RKDM4EMEN1ALDH1A1
SCHEMBL11493899 0.83 TTR (0.47) TTRLTB4RKDM4EMEN1ALDH1A1
SCHEMBL11814861 0.83 LTB4R (0.55) TTRLTB4RKDM4EMEN1ALDH1A1
SCHEMBL11808532 0.83 LTB4R (0.53) TTRLTB4RKDM4EMEN1ALDH1A1
SCHEMBL11492837 0.83 LTB4R (0.51) 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-4217361-A Disubstituted xanthone-2-carboxylic acid antiallergy agents SYNTEX (U.S.A.) INC. (US) 1980-08-12 — — US disclosed
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