SCHEMBL697576

SCHEMBL697576

Cc1ccc(C)c(C(C)(O)c2ncc[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
NISCH Q9Y2I1 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CASR P41180 3/20 0.33
ADRA2A P08913 3/20 0.33
ADRA2C P18825 3/20 0.33
ADRA1D P25100 3/20 0.33
ADRA1A P35348 3/20 0.33
ADRA1B P35368 3/20 0.33
PTGES O14684 1/20 0.32
CYP2C9 P11712 1/20 0.31
NR3C1 P04150 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
ALKBH2 Q6NS38 1/20 0.30
ALKBH3 Q96Q83 1/20 0.30
FTO Q9C0B1 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
SCHEMBL696482 0.85 CYP19A1 (0.44) CYP19A1NISCHNPC1RAB9ASMN1; SMN2
SCHEMBL697304 0.79 CYP19A1 (0.50) CYP19A1NISCHNPC1RAB9ASMN1; SMN2
SCHEMBL697647 0.78 CYP19A1 (0.38) CYP19A1NISCHNPC1RAB9ASMN1; SMN2
SCHEMBL1573354 0.77 TAAR1 (0.40) CYP19A1NISCHNPC1RAB9ASMN1; SMN2
SCHEMBL705114 0.77 CYP19A1 (0.42) CYP19A1NISCHNPC1RAB9ASMN1; SMN2
SCHEMBL697369 0.77 ADRA2A (0.43) CYP19A1SMN1; SMN2ALDH1A1ADRA2AADRA2C
SCHEMBL696424 0.76 CYP19A1 (0.42) CYP19A1NISCHNPC1RAB9ASMN1; SMN2
SCHEMBL699180 0.75 CYP19A1 (0.47) CYP19A1SMN1; SMN2ALDH1A1CASRADRA2A
SCHEMBL699118 0.75 CYP19A1 (0.50) CYP19A1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL696368 0.74 TAAR1 (0.42) CYP19A1NISCHNPC1RAB9ASMN1; SMN2

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