SCHEMBL21183176

SCHEMBL21183176

Cc1ccc(SCC2CC2)cc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.44
SOAT1 P35610 1/20 0.32
RORC P51449 1/20 0.31
IL17A Q16552 1/20 0.31
CRBN Q96SW2 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2E1 P05181 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C8 P10632 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP2C19 P33261 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
SCHEMBL18720483 0.83 AR (0.43) ARSOAT1RORCIL17ACRBN
SCHEMBL18151838 0.73 AR (0.47) ARCRBNCYP1A2CYP2E1CYP3A4
SCHEMBL18739031 0.73 AR (0.47) AR
SCHEMBL20738281 0.72 AR (0.42) ARSOAT1CRBNMAOACYP3A4
SCHEMBL23475236 0.71 GAA (0.38) MAOACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2665085 0.71 CRBN (0.51) ARCRBNCYP3A4
SCHEMBL18275112 0.71 AR (0.67) ARMAOAMAOBCYP1A2CYP3A4
SCHEMBL20738282 0.69 AR (0.45) ARCRBNMAOAMAOB
SCHEMBL21183182 0.69 PPARD (0.33) AR
SCHEMBL22561852 0.68 LMNA (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3152216-B1 BICYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-07-24 EP disclosed