SCHEMBL9047469

SCHEMBL9047469

C[CH]CCCc1c(C(C)=O)cccc1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
GPR52 Q9Y2T5 1/20 0.32
NLRP3 Q96P20 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.30
GAA P10253 1/20 0.30
CTSS P25774 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9057272 0.84 CA2 (0.39) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL9047730 0.84 CA2 (0.35) CA2GABRA1GABRB2NR1H4NLRP3
SCHEMBL9048247 0.83 GPR52 (0.40) GPR52LMNASMN1; SMN2ALDH1A1
SCHEMBL9045394 0.81 AKR1B1 (0.39) SMN1; SMN2TSHR
SCHEMBL9045101 0.81 KMT2A (0.39) GPR52LMNASMN1; SMN2ALDH1A1GAA
SCHEMBL9045397 0.81 GABRA1 (0.35) GABRA1GABRB2GPR52LMNAALDH1A1
SCHEMBL9047077 0.80 GABRA1 (0.43) CA2GABRA1GABRB2NLRP3SMN1; SMN2
SCHEMBL9048354 0.79 GABRA1 (0.36) CA2GABRA1GABRB2
SCHEMBL9057953 0.78 GABRA1 (0.41) CA2GABRA1GABRB2NLRP3LMNA
SCHEMBL9045166 0.77 GABRA1 (0.33) CA2GABRA1GABRB2

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-0690854-A1 1-PHENYL-IMIDAZOL-2-ONE BIPHENYLMETHYL COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1996-01-10 EP disclosed