SCHEMBL9534543

SCHEMBL9534543

COc1ccc2c(c1)c([S+]([O-])C(C)C)c(C(=O)O)n2Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 14/20 0.56
PLA2G1B P04054 1/20 0.53
EDNRB P24530 2/20 0.52
EDNRA P25101 2/20 0.52
PLA2G10 O15496 1/20 0.51
TP53 P04637 1/20 0.50
YWHAH Q04917 1/20 0.50
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL9537603 0.89 PLA2G2A (0.55) PLA2G2APLA2G1BEDNRBEDNRATP53
SCHEMBL9535566 0.81 KDM4E (0.56) EDNRBEDNRATP53KMT2A
SCHEMBL9538437 0.80 EDNRB (0.60) PLA2G2APLA2G1BEDNRBEDNRATSHR
SCHEMBL4885587 0.76 PLA2G10 (0.64) PLA2G2APLA2G1BEDNRBEDNRAPLA2G10
SCHEMBL336644 0.76 PLA2G2A (0.61) PLA2G2APLA2G1BTSHRMAPK1KMT2A
SCHEMBL4363430 0.74 PLA2G2A (0.79) PLA2G2APLA2G1BTSHRMAPK1KMT2A
SCHEMBL29952730 0.73 MAPT (0.62) PLA2G2AEDNRBEDNRAPLA2G10TP53
SCHEMBL9142952 0.73 L3MBTL1 (0.47) TP53KMT2A
SCHEMBL337183 0.72 PLA2G2A (0.59) PLA2G2APLA2G1BTSHRKMT2A
SCHEMBL19321312 0.71 EDNRB (0.53) PLA2G2APLA2G1BEDNRBEDNRATP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186367-B1 ACIDIC INDOLE COMPOUNDS AND THEIR USE AS ANTIALLERGY AGENTS WARNER-LAMBERT COMPANY (US) 1993-03-03 EP disclosed
US-4675332-A Acidic tetrazolyl substituted indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1987-06-23 US disclosed
EP-0186367-A2 Acidic indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1986-07-02 EP disclosed