SCHEMBL11238488

SCHEMBL11238488

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 2/20 0.44
QPCT Q16769 2/20 0.44
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
PRKCI P41743 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 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
SCHEMBL11247263 0.97 QPCT (0.45) HMOX1QPCTALDH1A1TSHRPRKCI
SCHEMBL11245162 0.92 HMOX1 (0.47) HMOX1QPCTALDH1A1PRKCIKDM4E
SCHEMBL11238035 0.91 HMOX1 (0.54) HMOX1QPCTALDH1A1TP53
SCHEMBL11242355 0.90 HMOX1 (0.45) HMOX1MEN1MAPK1KMT2ACYP19A1
SCHEMBL11238847 0.89 MEN1 (0.49) HMOX1QPCTALDH1A1TSHRKDM4E
SCHEMBL11235683 0.88 HMOX1 (0.55) HMOX1QPCTALDH1A1TP53
SCHEMBL11253014 0.87 HMOX1 (0.46) HMOX1MEN1KMT2ACYP19A1
SCHEMBL11243839 0.85 QPCT (0.49) QPCTALDH1A1TSHRPRKCIMEN1
SCHEMBL11236394 0.85 HMOX1 (0.45) HMOX1QPCTTSHRPRKCIKDM4E
SCHEMBL11237009 0.85 MEN1 (0.50) HMOX1QPCTALDH1A1TSHRMEN1

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