SCHEMBL9540401

SCHEMBL9540401

Cc1cc(C)n(CCCCC[S+]([O-])c2nc(-c3ccccc3)c(-c3ccccc3)n2COCC[Si](C)(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 6/20 0.41
ACAT1 P24752 1/20 0.41
FAAH O00519 8/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CASP3 P42574 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PLA2G4A P47712 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL9525306 0.83 F11 (0.34) FAAHCNR1CNR2PLA2G4A
SCHEMBL9539516 0.80 SOAT1 (0.41) SOAT1ACAT1ALDH1A1LMNAHTT
SCHEMBL9526288 0.76 F11 (0.36) FAAHALDH1A1LMNASMN1; SMN2CNR1
SCHEMBL9565792 0.70 SOAT1 (0.63) SOAT1ACAT1ALDH1A1LMNACASP3
SCHEMBL3378259 0.70 SOAT1 (0.63) SOAT1ACAT1ALDH1A1LMNACASP3
SCHEMBL29972770 0.70 SOAT1 (0.63) SOAT1ACAT1ALDH1A1LMNACASP3
SCHEMBL9370452 0.67 FAAH (0.41) FAAHALDH1A1CNR1CNR2PLA2G4A
SCHEMBL9525207 0.65 MAPK14 (0.43) ALDH1A1LMNA
SCHEMBL29632252 0.65 KDM4E (0.46) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL28452914 0.65 NPC1 (0.44) ALDH1A1CYP1A2

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
WO-1993001183-A1 IMIDAZOLE DERIVATIVE AS ACAT INHIBITOR RHONE-POULENC RORER LIMITED (GB) 1993-01-21 WO disclosed
EP-0523941-A1 Imidazoles as ACAT inhibitor RHONE-POULENC RORER LIMITED (GB) 1993-01-20 EP disclosed