SCHEMBL11270041

SCHEMBL11270041

Cn1c2ccc(Cl)cc2c2oc(C(=O)O)cc(=O)c21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
GPR35 Q9HC97 9/20 0.46
KMT2A Q03164 1/20 0.39
MAOB P27338 1/20 0.38
MCL1 Q07820 1/20 0.38
EGFR P00533 1/20 0.38
OXER1 Q8TDS5 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
CSNK2A2 P19784 1/20 0.38
PTGS1 P23219 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 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
SCHEMBL11274923 0.86 GPR35 (0.43) GPR35KMT2AMCL1KDM4EUSP2
SCHEMBL11416700 0.83 MAOB (0.61) ALDH1A1GPR35MAOBKDM4E
SCHEMBL11278189 0.83 KDM4E (0.50) ALDH1A1GPR35EGFRKDM4EUSP2
SCHEMBL11276735 0.81 GPR35 (0.47) ALDH1A1GPR35KMT2AEGFR
SCHEMBL11273550 0.77 MAPT (0.39) GPR35MAOBEGFR
SCHEMBL11267749 0.77 RAB9A (0.35) ALDH1A1GPR35KMT2AKDM4E
SCHEMBL11421772 0.75 MCL1 (0.40) ALDH1A1KMT2AMCL1OXER1RXFP1
SCHEMBL11269004 0.71 EGFR (0.43) ALDH1A1KMT2AEGFRKDM4EUSP2
SCHEMBL11273764 0.71 PLK1 (0.33) ALDH1A1KDM4ECSNK2A2CSNK2B
SCHEMBL1504213 0.70 ALDH1A1 (1.00) ALDH1A1MAOBMCL1KDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4188326-A Indolopyrones having anti-allergic activity WARNER-LAMBERT COMPANY (US) 1980-02-12 US claimed
US-4316904-A Indolopyrone tetrazoles and carboxamidotetrazoles having antiallergic activity WARNER-LAMBERT COMPANY 1982-02-23 US disclosed
US-4188326-A Indolopyrones having anti-allergic activity WARNER-LAMBERT COMPANY (US) 1980-02-12 US disclosed
US-4175083-A ANTIHISTAMINES, ANTIALLERGENS WARNER-LAMBERT COMPANY (US) 1979-11-20 US disclosed
US-4148806-A Process for the preparation of indolopyrones WARNER-LAMBERT COMPANY (US) 1979-04-10 US disclosed