SCHEMBL9047730

SCHEMBL9047730

[CH2]CCCc1c(C(C)=O)cccc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
NLRP3 Q96P20 1/20 0.32
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 3/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
TSHR P16473 1/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MRGPRX4 Q96LA9 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 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
SCHEMBL9047787 0.88 ALOX15 (0.38) CA2GABRA1GABRB2NR1H4ALDH1A1
SCHEMBL9047469 0.84 CA2 (0.34) CA2GABRA1GABRB2NR1H4NLRP3
SCHEMBL9046662 0.82 CA2 (0.41) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL9045526 0.81 BRPF1 (0.39) LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9046816 0.78 KMT2A (0.41) SMN1; SMN2ALDH1A1GAATDP1KDM4E
SCHEMBL9047503 0.78 AKR1B1 (0.41) LMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL9045271 0.78 GABRA1 (0.37) GABRA1GABRB2LMNASMN1; SMN2ALDH1A1
SCHEMBL9044072 0.77 GABRA1 (0.46) CA2GABRA1GABRB2NLRP3SMN1; SMN2
SCHEMBL9044908 0.76 GABRA1 (0.38) CA2GABRA1GABRB2NLRP3
SCHEMBL9056727 0.76 GABRA1 (0.43) CA2GABRA1GABRB2NLRP3LMNA

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