SCHEMBL11247263

SCHEMBL11247263

Cc1ccc(C2(CCCn3ccnc3)OCC(C)O2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.45
HMOX1 P09601 2/20 0.45
ALDH1A1 P00352 2/20 0.41
PRKCI P41743 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HSP90AA1 P07900 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL11238488 0.97 HMOX1 (0.44) QPCTHMOX1ALDH1A1PRKCIKDM4E
SCHEMBL11245162 0.93 HMOX1 (0.47) QPCTHMOX1ALDH1A1PRKCIKDM4E
SCHEMBL11235683 0.91 HMOX1 (0.55) QPCTHMOX1ALDH1A1
SCHEMBL11253014 0.90 HMOX1 (0.46) HMOX1CYP19A1
SCHEMBL11236394 0.88 HMOX1 (0.45) QPCTHMOX1PRKCIKDM4ECYP19A1
SCHEMBL11237009 0.88 MEN1 (0.50) QPCTHMOX1ALDH1A1TSHR
SCHEMBL11238035 0.88 HMOX1 (0.54) QPCTHMOX1ALDH1A1
SCHEMBL11242355 0.87 HMOX1 (0.45) HMOX1CYP19A1
SCHEMBL11238847 0.85 MEN1 (0.49) QPCTHMOX1ALDH1A1KDM4ETSHR
SCHEMBL11239378 0.85 QPCT (0.50) QPCTALDH1A1PRKCIKDM4ECYP19A1

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