SCHEMBL7107611

SCHEMBL7107611

C[C@]1(c2ccccc2)O[C@@H]1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
KDM1A O60341 10/20 0.38
MAOA P21397 10/20 0.38
MAOB P27338 10/20 0.38
PTGS2 P35354 1/20 0.38
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 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
SCHEMBL3973022 1.00 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3827297 0.88 ALDH1A1 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3827300 0.88 ALDH1A1 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13567837 0.88 ALDH1A1 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3831912 0.88 NPSR1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3831911 0.88 NPSR1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13567853 0.88 NPSR1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19707969 0.84 CHRNA1 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6980981 0.81 ALDH1A1 (0.46)
SCHEMBL6980984 0.81 ALDH1A1 (0.46)

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
EP-1021426-B1 CATALYTIC ASYMMETRIC EPOXIDATION UNIV COLORADO STATE RES FOUND (US) 2003-09-17 EP disclosed
US-6348608-B1 ADDING OXIDIZING AGENT TO REACTION SOLUTION COMPRISING CHIRAL CYCLIC ENANTIOMERICALLY ENRICHED KETONE AND OLEFIN UNDER CONDITIONS EFFECTIVE TO GENERATE ENANTIOMERICALLY ENRICHED EPOXIDE, SEPARATING EPOXIDE FROM REACTION SOLUTION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION 2002-02-19 US disclosed
EP-1021426-A1 CATALYTIC ASYMMETRIC EPOXIDATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2000-07-26 EP disclosed
EP-1021426-A4 CATALYTIC ASYMMETRIC EPOXIDATION UNIV COLORADO STATE RES FOUND (US) 2000-07-26 EP disclosed
WO-1998015544-A1 CATALYTIC ASYMMETRIC EPOXIDATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1998-04-16 WO disclosed