SCHEMBL9538437

SCHEMBL9538437

COc1ccc2c(c1)c(SC(C)C)c(C(=O)O)n2Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.60
EDNRA P25101 2/20 0.60
PLA2G2A P14555 17/20 0.57
PLA2G1B P04054 1/20 0.54
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL9535154 0.82 PLA2G2A (0.46) EDNRBEDNRAPLA2G2APLA2G1B
SCHEMBL9540898 0.81 KDM4E (0.57) EDNRBEDNRAKMT2A
SCHEMBL9534543 0.80 PLA2G2A (0.56) EDNRBEDNRAPLA2G2APLA2G1BTSHR
SCHEMBL9537603 0.77 PLA2G2A (0.55) EDNRBEDNRAPLA2G2APLA2G1BTSHR
SCHEMBL336644 0.76 PLA2G2A (0.61) PLA2G2APLA2G1BTSHRMAPK1KMT2A
SCHEMBL21465533 0.76 MEN1 (0.82) EDNRBEDNRATSHRKMT2A
SCHEMBL23759991 0.76 MEN1 (0.74) EDNRBEDNRAPLA2G2ATSHRKMT2A
SCHEMBL30742798 0.76 MEN1 (0.74) EDNRBEDNRAPLA2G2ATSHRKMT2A
SCHEMBL6632096 0.75 EDNRA (1.00) EDNRBEDNRATSHRKMT2A
SCHEMBL4885587 0.75 PLA2G10 (0.64) EDNRBEDNRAPLA2G2APLA2G1B

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