SCHEMBL11485941

SCHEMBL11485941

C[S+]([O-])c1cc(OCCO)c2oc3ccc(C(=O)O)cc3c(=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 8/20 0.48
▸ LTB4R2 Q9NPC1 3/20 0.45
▸ TTR P02766 8/20 0.44
▸ AKR1B1 P15121 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ PTGER1 P34995 1/20 0.42
▸ PTGER3 P43115 1/20 0.42
▸ PTGER2 P43116 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PTGDR Q13258 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CSF1R P07333 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL11768131 0.92 LTB4R (0.53) LTB4RLTB4R2TTRAKR1B1KDM4E
SCHEMBL11485522 0.91 LTB4R (0.49) LTB4RLTB4R2TTRAKR1B1KDM4E
SCHEMBL11783029 0.91 LTB4R (0.59) LTB4RLTB4R2TTRAKR1B1KDM4E
SCHEMBL11767597 0.90 LTB4R (0.61) LTB4RLTB4R2TTRAKR1B1ALDH1A1
SCHEMBL11771441 0.90 LTB4R (0.61) LTB4RLTB4R2TTRAKR1B1ALDH1A1
SCHEMBL11771348 0.90 LTB4R (0.61) LTB4RLTB4R2TTRAKR1B1ALDH1A1
SCHEMBL11769199 0.90 LTB4R (0.61) LTB4RLTB4R2TTRAKR1B1ALDH1A1
SCHEMBL11771763 0.90 TTR (0.48) LTB4RLTB4R2TTRAKR1B1KDM4E
SCHEMBL11493293 0.89 LTB4R (0.49) LTB4RLTB4R2TTRAKR1B1KDM4E
SCHEMBL11767523 0.89 LTB4R (0.47) LTB4RLTB4R2TTRAKR1B1KDM4E

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
Send feedback