SCHEMBL28816696

SCHEMBL28816696

CC(C)c1cc(C(C)C)c(-c2ccccc2P2CCCC2)c(C(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.36
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
FABP3 P05413 2/20 0.31
FABP4 P15090 2/20 0.31
FABP5 Q01469 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
SCHEMBL25183168 0.86 ROCK2 (0.32) ROCK2
SCHEMBL16755547 0.79
SCHEMBL349934 0.77 ROCK2 (0.34) ROCK2
SCHEMBL366619 0.76 ROCK2 (0.36) ROCK2
SCHEMBL28989033 0.75 ROCK2 (0.31) ROCK2
SCHEMBL7715672 0.74 GABRA1 (0.50) GABRA1GABRB2FABP3FABP4FABP5
Cyclohexane SCHEMBL664618 0.73 ROCK2 (0.42) ROCK2GABRA1GABRB2FABP3FABP4
SCHEMBL28989034 0.72 ROCK2 (0.33) ROCK2
SCHEMBL352293 0.72 HPGD (0.32) ROCK2
SCHEMBL28438073 0.72 GABRA1 (0.38) ROCK2GABRA1GABRB2FABP3FABP4

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
CN-114761393-A Heteroaryl substituted pyrazine derivatives as pesticides 拜耳动物保健有限责任公司 2022-07-15 CN disclosed