SCHEMBL696368

SCHEMBL696368

Cc1cccc(C)c1C(C)(O)c1ncc[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.42
CYP19A1 P11511 2/20 0.41
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F2RL1 P55085 1/20 0.35
NISCH Q9Y2I1 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HTR1A P08908 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
MTOR P42345 1/20 0.31
ADK P55263 1/20 0.31
TRPA1 O75762 1/20 0.31
ATM Q13315 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL1573354 0.86 TAAR1 (0.40) TAAR1CYP19A1ALDH1A1SMN1; SMN2F2RL1
SCHEMBL696761 0.84 TAAR1 (0.40) TAAR1CYP19A1F2RL1GABRA1GABRB2
SCHEMBL697647 0.83 CYP19A1 (0.38) CYP19A1ALDH1A1SMN1; SMN2NISCHNPC1
SCHEMBL697421 0.82 CYP19A1 (0.41) TAAR1CYP19A1ALDH1A1SMN1; SMN2F2RL1
SCHEMBL699180 0.80 CYP19A1 (0.47) TAAR1CYP19A1ALDH1A1SMN1; SMN2F2RL1
SCHEMBL697724 0.78 TAAR1 (0.46) TAAR1CYP19A1ALDH1A1F2RL1HTR1A
SCHEMBL697230 0.77 CYP19A1 (0.40) CYP19A1ALDH1A1SMN1; SMN2F2RL1
SCHEMBL705114 0.76 CYP19A1 (0.42) TAAR1CYP19A1ALDH1A1SMN1; SMN2NISCH
SCHEMBL6302051 0.76 CYP19A1 (0.47) TAAR1CYP19A1ALDH1A1NISCHMTOR
SCHEMBL697087 0.76 CYP19A1 (0.47) TAAR1CYP19A1ALDH1A1NISCHMTOR

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-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP disclosed