SCHEMBL11242340

SCHEMBL11242340

Cc1ccc(C2(CCCCn3ccnc3)OCC(C)(C)CO2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.47
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
PRKCI P41743 1/20 0.42
CYP4F2 P78329 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TBXAS1 P24557 2/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL11241916 0.96 QPCT (0.48) QPCTALDH1A1TSHRPRKCIMEN1
SCHEMBL11246654 0.92 QPCT (0.44) QPCTALDH1A1TSHRPRKCIMEN1
SCHEMBL11244112 0.90 TP53 (0.47) QPCTALDH1A1TSHRTP53CYP19A1
SCHEMBL11241853 0.89 CYP19A1 (0.44) MEN1MAPK1KMT2ATBXAS1CYP19A1
SCHEMBL11244183 0.89 QPCT (0.50) QPCTALDH1A1TSHRPRKCICYP4F2
SCHEMBL11241810 0.88 MEN1 (0.52) QPCTALDH1A1TSHRMEN1TP53
SCHEMBL11246832 0.87 QPCT (0.48) QPCTALDH1A1TSHRPRKCIMEN1
SCHEMBL11242901 0.86 QPCT (0.46) QPCTALDH1A1TSHRTP53CYP19A1
SCHEMBL11233658 0.86 CYP19A1 (0.45) PRKCIMEN1MAPK1KMT2ATBXAS1
SCHEMBL11230230 0.85 QPCT (0.51) QPCTALDH1A1TSHRPRKCIMEN1

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