SCHEMBL8615957

SCHEMBL8615957

C[CH]CCCc1ccccc1C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.41
ALDH1A1 P00352 4/20 0.41
FOLH1 Q04609 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ADRB2 P07550 1/20 0.37
SLC16A3 O15427 4/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
GPR52 Q9Y2T5 1/20 0.36
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL9048128 0.86 FOLH1 (0.56) ALDH1A1FOLH1SLC16A3
SCHEMBL9045795 0.81 HTT (0.37) LMNAALDH1A1FOLH1KDM4ESLC16A3
SCHEMBL9045397 0.81 GABRA1 (0.35) LMNAALDH1A1KDM4EGPR52MAPT
SCHEMBL1131361 0.80 TSHR (0.46) LMNAALDH1A1FOLH1CYP3A4CYP2D6
SCHEMBL10420414 0.80 LMNA (0.45) LMNAALDH1A1FOLH1SMN1; SMN2KDM4E
SCHEMBL298005 0.79 LIPG (0.53) LMNAALDH1A1CYP3A4HTT
SCHEMBL10422004 0.79 LMNA (0.44) LMNAALDH1A1FOLH1SMN1; SMN2KDM4E
SCHEMBL30664751 0.79 LMNA (0.44) LMNAALDH1A1FOLH1SMN1; SMN2KDM4E
SCHEMBL7498472 0.79 LMNA (0.44) LMNAALDH1A1FOLH1SMN1; SMN2KDM4E
SCHEMBL13756676 0.77 CYP3A4 (0.44) LMNAALDH1A1FOLH1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5735973-A BENZIMIDAZOLE COMPOUND; PROTECTION FROM OXIDATION AND RUST TAMURA KAKEN CORPORATION (JP) 1998-04-07 US disclosed
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