SCHEMBL11486396

SCHEMBL11486396

CCS(=O)(=O)c1cc(OCCO)c2oc3ccc(C(=O)O)cc3c(=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 7/20 0.50
▸ AKR1B1 P15121 1/20 0.49
▸ LTB4R2 Q9NPC1 3/20 0.46
▸ TTR P02766 9/20 0.46
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PTGER1 P34995 1/20 0.41
▸ PTGER3 P43115 1/20 0.41
▸ PTGER2 P43116 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PTGDR Q13258 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HTR6 P50406 1/20 0.39
▸ CSF1R P07333 1/20 0.38
▸ KDR P35968 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
SCHEMBL11494058 0.93 LTB4R (0.50) LTB4RAKR1B1LTB4R2TTRKDM4E
SCHEMBL11769275 0.93 LTB4R (0.53) LTB4RAKR1B1LTB4R2TTRKDM4E
SCHEMBL11765833 0.91 LTB4R (0.61) LTB4RAKR1B1LTB4R2TTRALDH1A1
SCHEMBL11486603 0.91 AKR1B1 (0.50) LTB4RAKR1B1LTB4R2TTRKDM4E
SCHEMBL11766582 0.91 AKR1B1 (0.52) LTB4RAKR1B1LTB4R2TTRKDM4E
SCHEMBL11769840 0.88 AKR1B1 (0.53) LTB4RAKR1B1LTB4R2TTRKDM4E
SCHEMBL11766177 0.87 LTB4R (0.52) LTB4RAKR1B1LTB4R2TTRKDM4E
SCHEMBL11766812 0.85 LTB4R (0.59) LTB4RAKR1B1LTB4R2TTRALDH1A1
SCHEMBL11772802 0.85 KDM4E (0.54) LTB4RAKR1B1LTB4R2TTRKDM4E
SCHEMBL11769745 0.85 LTB4R (0.53) LTB4RAKR1B1LTB4R2TTRKDM4E

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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