SCHEMBL9057953

SCHEMBL9057953

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
SOAT1 P35610 1/20 0.38
KCNK3 O14649 3/20 0.36
KCNK9 Q9NPC2 3/20 0.36
LPAR1 Q92633 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
FAAH O00519 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL9046705 0.89 GABRA1 (0.41) GABRA1GABRG2GABRB3SOAT1LPAR1
SCHEMBL9056727 0.82 GABRA1 (0.43) GABRA1GABRG2GABRB3KCNK3KCNK9
SCHEMBL9048247 0.82 GPR52 (0.40) SMN1; SMN2LMNAHPGD
SCHEMBL19289728 0.80 GABRA1 (0.47) GABRA1GABRG2GABRB3KCNK3KCNK9
SCHEMBL9045101 0.79 KMT2A (0.39) SMN1; SMN2LMNA
SCHEMBL9045394 0.79 AKR1B1 (0.39) SMN1; SMN2CYP1A2CYP3A4HPGDTSHR
SCHEMBL9045397 0.79 GABRA1 (0.35) GABRA1LMNATSHRGABRB2
SCHEMBL9048945 0.79 GABRA1 (0.44) GABRA1GABRG2GABRB3SOAT1LPAR1
SCHEMBL9047469 0.78 CA2 (0.34) GABRA1SMN1; SMN2CA2LMNATSHR
SCHEMBL9045457 0.78 GABRA1 (0.41) GABRA1GABRG2GABRB3SOAT1LPAR1

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