SCHEMBL11242952

SCHEMBL11242952

COc1cccc(CC2(CCn3ccnc3)OCC(C)O2)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 2/20 0.49
KDM4E B2RXH2 2/20 0.40
IDO1 P14902 2/20 0.40
ALDH1A1 P00352 2/20 0.40
QPCT Q16769 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL11237568 0.90 HMOX1 (0.56) HMOX1IDO1
SCHEMBL11240151 0.88 HMOX1 (0.55) HMOX1
SCHEMBL11239577 0.87 HMOX1 (0.52) HMOX1SMN1; SMN2
SCHEMBL11247563 0.86 ALDH1A1 (0.43) HMOX1KDM4EIDO1ALDH1A1QPCT
SCHEMBL11236032 0.85 HMOX1 (0.67) HMOX1
SCHEMBL11251627 0.84 ALDH1A1 (0.42) KDM4EIDO1ALDH1A1QPCTSMN1; SMN2
SCHEMBL11243302 0.83 ALDH1A1 (0.41) KDM4EIDO1ALDH1A1QPCTSMN1; SMN2
SCHEMBL11237213 0.82 HMOX1 (0.53) HMOX1ALDH1A1QPCT
SCHEMBL11239197 0.81 HMOX1 (0.65) HMOX1
SCHEMBL11239765 0.81 ALDH1A1 (0.42) KDM4EIDO1ALDH1A1QPCTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0049565-A2 Derivatives of substituted N-alkylimidazoles, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
US-4321272-A Derivatives of substituted N-alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-03-23 US disclosed