SCHEMBL11229655

SCHEMBL11229655

c1ccc(C2(CCn3ccnc3)OCCCO2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.47
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
CYP19A1 P11511 4/20 0.44
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
QPCT Q16769 1/20 0.42
CYP4Z1 Q86W10 1/20 0.42
QPCTL Q9NXS2 1/20 0.42
LTA4H P09960 1/20 0.41
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL11241264 0.94 CYP11B1 (0.49) TBXAS1CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL11247642 0.92 CYP19A1 (0.47) TBXAS1CYP11B1CYP11B2CYP19A1
SCHEMBL11248543 0.91 CYP19A1 (0.46) TBXAS1CYP11B1CYP11B2CYP19A1
SCHEMBL11243919 0.87 QPCT (0.45) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL11244362 0.87 QPCT (0.47) CYP11B1CYP11B2CYP19A1QPCTALDH1A1
SCHEMBL11259363 0.86 CYP19A1 (0.49) TBXAS1CYP11B1CYP11B2CYP19A1
SCHEMBL11241969 0.85 CYP19A1 (0.48) TBXAS1CYP11B1CYP11B2CYP19A1
SCHEMBL11247856 0.85 CYP19A1 (0.46) TBXAS1CYP11B1CYP11B2CYP19A1POLB
SCHEMBL11253540 0.84 TBXAS1 (0.45) TBXAS1CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL11239975 0.84 KMT2A (0.48) CYP11B1CYP11B2CYP19A1CYP1A2POLB

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