SCHEMBL9536869

SCHEMBL9536869

COc1ccc2c(c1)cc(C(=O)O)n2Cc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.76
CCR9 P51686 1/20 0.62
GPR35 Q9HC97 1/20 0.61
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HSD17B10 Q99714 1/20 0.60
PLA2G4A P47712 1/20 0.60
ABCB11 O95342 1/20 0.60
PTGS2 P35354 1/20 0.57
SRD5A2 P31213 1/20 0.55
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL3956751 0.92 CCR2 (0.84) CCR2CCR9KDM4EALDH1A1HPGD
SCHEMBL4541643 0.90 CCR2 (0.77) CCR2CCR9GPR35KDM4EALDH1A1
SCHEMBL6867612 0.89 CCR2 (0.61) CCR2CCR9KDM4EALDH1A1HPGD
SCHEMBL4371922 0.89 CCR2 (0.75) CCR2CCR9KDM4EALDH1A1HPGD
SCHEMBL7247328 0.88 CCR2 (0.74) CCR2CCR9GPR35
SCHEMBL3967516 0.88 CCR2 (0.73) CCR2PLA2G4AABCB11SRD5A2
SCHEMBL3964251 0.87 CCR2 (0.74) CCR2CCR9GPR35ALDH1A1ABCB11
SCHEMBL29433700 0.87 CCR2 (0.74) CCR2CCR9GPR35ALDH1A1ABCB11
SCHEMBL6300956 0.87 CCR2 (1.00) CCR2ABCB11
SCHEMBL9622481 0.87 NOD2 (0.64) CCR2KDM4EALDH1A1HPGDPTGS2

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