SCHEMBL11243839

SCHEMBL11243839

Cc1ccc(C2(CCCCn3ccnc3)OC(C)C(C)O2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.49
PRKCI P41743 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
TBXAS1 P24557 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL11239378 0.96 QPCT (0.50) QPCTPRKCIALDH1A1TSHRTBXAS1
SCHEMBL11241448 0.91 QPCT (0.46) QPCTPRKCIALDH1A1TSHRMEN1
SCHEMBL11237998 0.90 TP53 (0.50) QPCTALDH1A1TSHRTBXAS1TP53
SCHEMBL11238178 0.89 CYP19A1 (0.46) TBXAS1MEN1KMT2AMAPK1CYP19A1
SCHEMBL11243657 0.87 MEN1 (0.54) QPCTALDH1A1TSHRMEN1KMT2A
SCHEMBL11243953 0.86 TP53 (0.48) QPCTALDH1A1TSHRTP53CYP19A1
SCHEMBL11238488 0.85 HMOX1 (0.44) QPCTPRKCIALDH1A1TSHRMEN1
SCHEMBL11239956 0.85 CYP19A1 (0.47) PRKCITBXAS1MEN1KMT2AMAPK1
SCHEMBL11244183 0.84 QPCT (0.50) QPCTPRKCIALDH1A1TSHRTBXAS1
SCHEMBL11249800 0.83 MEN1 (0.55) QPCTALDH1A1TSHRMEN1KMT2A

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