SCHEMBL9698749

SCHEMBL9698749

CCC(CCN1CCCCC1)C1(C)COC(c2nc(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)OC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 5/20 0.40
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
ALPL P05186 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TRPC5 Q9UL62 1/20 0.34
ESR1 P03372 1/20 0.34
DCTPP1 Q9H773 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL9699292 0.83 KDM4E (0.40) SOAT1ALDH1A1NPSR1TRPC5DCTPP1
SCHEMBL9698130 0.82 SOAT1 (0.41) SOAT1ALDH1A1HTTKDM4EHPGD
SCHEMBL9698744 0.81 SOAT1 (0.59) SOAT1ADRA1AKCNH2HRH3
SCHEMBL9700434 0.80 SOAT1 (0.33) SOAT1ALDH1A1KDM4EHPGDTSHR
SCHEMBL9737635 0.79 SOAT1 (0.38) SOAT1MEN1KMT2AALDH1A1KDM4E
SCHEMBL9737457 0.78 SOAT1 (0.48) SOAT1ALDH1A1LMNAKDM4EHPGD
SCHEMBL9698723 0.78 SOAT1 (0.57) SOAT1
SCHEMBL9697951 0.76 SOAT1 (0.39) SOAT1ALDH1A1NPSR1TRPC5DCTPP1
SCHEMBL9698736 0.75 SOAT1 (0.38) SOAT1HRH3
SCHEMBL9700095 0.74 SOAT1 (0.43) SOAT1ALDH1A1KDM4EHPGDTSHR

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-1992017470-A1 IMIDAZOLES RHONE-POULENC RORER LIMITED (GB) 1992-10-15 WO disclosed
EP-0506437-A1 Imidazoles RHONE POULENC RORER LIMITED (GB) 1992-09-30 EP disclosed