SCHEMBL9518499

SCHEMBL9518499

COCc1ccc(OC)c(Br)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA4 P22748 3/20 0.42
CA6 P23280 3/20 0.42
AOC3 Q16853 1/20 0.38
KDM4E B2RXH2 3/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 2/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
APLNR P35414 1/20 0.34

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
SCHEMBL6212313 0.82 AOC3 (0.53) AOC3KDM4ETSHRSMN1; SMN2POLB
SCHEMBL9518445 0.79 IDO1 (0.41) KDM4ETSHRPOLBGAAMAPT
SCHEMBL6718819 0.77 CA2 (0.47) CA1CA2CA4CA6KDM4E
SCHEMBL11084282 0.75 ALOX5 (0.47) CA1CA2CA4CA6AOC3
SCHEMBL16245173 0.74 AOC3 (0.42) AOC3KDM4ETSHRSMN1; SMN2POLB
SCHEMBL9109330 0.73 TUBB1 (0.47) CA1CA2CA4CA6KDM4E
SCHEMBL4369269 0.72 ABCB1 (0.57) CA1CA2KDM4ETSHRSMN1; SMN2
SCHEMBL20789931 0.71 CA2 (0.40) CA1CA2CA4CA6KDM4E
SCHEMBL29800758 0.71 CA2 (0.47) CA1CA2CA4KDM4ETSHR
SCHEMBL10398173 0.71 CA2 (0.47) CA1CA2CA4KDM4ETSHR

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-0269599-B1 Substituted 1H-imidazoles UCB SA (BE) 1993-12-15 EP disclosed
US-4814343-A ANTIISCHEMIC U C B, S.A. (BE) 1989-03-21 US disclosed
EP-0269599-A2 Substituted 1H-imidazoles U C B, S.A. (BE) 1988-06-01 EP disclosed