SCHEMBL11246065

SCHEMBL11246065

CC(C)c1ccc(C2(CCCn3ccnc3)OCCCO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
QPCT Q16769 7/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
CYP19A1 P11511 2/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
PRKCI P41743 1/20 0.39
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
TBXAS1 P24557 1/20 0.37
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL11259667 0.95 LMNA (0.46) LMNAQPCTKDM4EHTTCYP19A1
SCHEMBL11245761 0.88 LMNA (0.43) LMNAQPCTKDM4EHTTCYP19A1
SCHEMBL11238443 0.87 QPCT (0.49) QPCTKDM4EHTTCYP19A1TSHR
SCHEMBL11229752 0.87 QPCT (0.50) QPCTKDM4ECYP19A1TSHR
SCHEMBL11247642 0.84 CYP19A1 (0.47) CYP19A1TBXAS1
SCHEMBL11236630 0.84 MEN1 (0.54) LMNAQPCTKDM4EHTTTSHR
SCHEMBL11242197 0.84 QPCT (0.49) QPCTKDM4ECYP19A1TSHRTBXAS1
SCHEMBL11246832 0.84 QPCT (0.48) QPCTHTTCYP19A1TSHRPRKCI
SCHEMBL11230325 0.83 LMNA (0.45) LMNAQPCTKDM4EHTTCYP19A1
SCHEMBL11236394 0.83 HMOX1 (0.45) LMNAQPCTKDM4EHTTCYP19A1

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