SCHEMBL9313112

SCHEMBL9313112

CC1(C)OC1(Cn1ccnc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 0.46
CYP11B2 P19099 10/20 0.46
CYP19A1 P11511 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
TBXAS1 P24557 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
QPCT Q16769 1/20 0.46
CYP4Z1 Q86W10 1/20 0.46
QPCTL Q9NXS2 1/20 0.46
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP17A1 P05093 1/20 0.42

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
SCHEMBL4966451 0.75 CYP11B1 (0.49) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL11094272 0.73 TBXAS1 (0.40) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL9312632 0.73 CYP19A1 (0.46) CYP19A1MAPT
SCHEMBL10247576 0.73 TSHR (0.50) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL4431612 0.72 HMOX1 (0.40) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL410844 0.72 TSHR (0.49) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL4431682 0.71 HMOX1 (0.39) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL11086199 0.70 CYP11B1 (0.38) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL10514369 0.70 OPRM1 (0.40) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL10669332 0.69 CYP11B1 (0.41) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371065-A Fungicides, plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1994-12-06 US disclosed
EP-0327913-B1 Substituted azolyl methyl oxiranes BAYER AG (DE) 1994-04-06 EP disclosed
EP-0327913-A2 Substituted azolyl methyl oxiranes BAYER AG (DE) 1989-08-16 EP disclosed
EP-0327899-A2 Substituted vinyl azoles BAYER AG (DE) 1989-08-16 EP disclosed