SCHEMBL9738043

SCHEMBL9738043

Cc1cc(C)n(CCOC[C@]2(C)CO[C@H](c3nc(-c4ccccc4)c(-c4ccccc4)n3Cc3ccccc3)OC2)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 12/20 0.48
ACAT1 P24752 1/20 0.33
KCNH2 Q12809 1/20 0.33
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
TSHR P16473 2/20 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
SCHEMBL9698799 0.87 SOAT1 (0.61) SOAT1ACAT1
SCHEMBL9697893 0.87 SOAT1 (0.49) SOAT1ACAT1KCNH2
SCHEMBL9697934 0.87 SOAT1 (0.64) SOAT1ACAT1
SCHEMBL9697918 0.87 SOAT1 (0.64) SOAT1ACAT1
SCHEMBL9697928 0.86 SOAT1 (0.65) SOAT1ACAT1
SCHEMBL9700155 0.86 SOAT1 (0.65) SOAT1ACAT1
SCHEMBL9698693 0.83 SOAT1 (0.49) SOAT1
SCHEMBL9699277 0.82 SOAT1 (0.48) SOAT1ALDH1A1TSHR
SCHEMBL9698951 0.81 SOAT1 (0.53) SOAT1ACAT1KCNH2ALDH1A1LMNA
SCHEMBL9698895 0.81 SOAT1 (0.53) SOAT1ACAT1KCNH2ALDH1A1LMNA

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
WO-1992005148-A1 IMIDAZOL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATIONS RHONE-POULENC RORER LIMITED (GB) 1992-04-02 WO disclosed