SCHEMBL11236581

SCHEMBL11236581

CCCCOc1ccc(CC2(CCn3ccnc3)OCC(CC)(CC)CO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.47
QPCT Q16769 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ATM Q13315 1/20 0.46
CYP19A1 P11511 1/20 0.45
LTA4H P09960 1/20 0.44
POLB P06746 1/20 0.44
TBXAS1 P24557 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NOS1 P29475 1/20 0.43

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
SCHEMBL11231921 0.94 KDM4E (0.48) KDM4ELMNAALDH1A1QPCTKMT2A
SCHEMBL11233797 0.91 KDM4E (0.49) KDM4ELMNAALDH1A1QPCTKMT2A
SCHEMBL11239428 0.90 KDM4E (0.52) KDM4ELMNAALDH1A1QPCTKMT2A
SCHEMBL11228678 0.89 MEN1 (0.46) KDM4ELMNAALDH1A1QPCTKMT2A
SCHEMBL11242363 0.88 KDM4E (0.50) KDM4ELMNAALDH1A1QPCTKMT2A
SCHEMBL11249457 0.85 CYP19A1 (0.46) ALDH1A1QPCTCYP19A1
SCHEMBL11235149 0.84 HMOX1 (0.50) CYP19A1NOS1
SCHEMBL11252118 0.84 HMOX1 (0.47) CYP19A1
SCHEMBL11242485 0.84 CYP19A1 (0.43) QPCTKMT2ACYP19A1LTA4HPOLB
SCHEMBL11254179 0.84 HMOX1 (0.53)

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