SCHEMBL8052792

SCHEMBL8052792

C=CCCNCC=CCOc1ccc(C(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.43
MAOB P27338 3/20 0.42
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
SRD5A2 P31213 3/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
EPHX2 P34913 1/20 0.38
GAA P10253 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38

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
SCHEMBL8049755 0.87 LSS (0.46) LSSMAOBNPC1MAPTRAB9A
SCHEMBL9360246 0.86 LSS (0.46) LSSNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL8045307 0.85 LSS (0.46) LSSNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL8035630 0.85 LSS (0.60) LSSMAOBNPC1MAPTRAB9A
SCHEMBL8046483 0.83 LSS (0.44) LSSNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL8035335 0.81 LSS (0.48) LSSMAOBMAPTSMN1; SMN2SRD5A2
SCHEMBL8047698 0.77 SRD5A2 (0.47) LSSMAOBSRD5A2ALDH1A1CYP1A1
SCHEMBL8902485 0.77 SRD5A2 (0.47) LSSMAOBSRD5A2ALDH1A1CYP1A1
SCHEMBL7772016 0.77 LSS (0.38) LSSNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL8045026 0.77 MAPT (0.48) LSSNPC1MAPTRAB9APOLB

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-0636367-B1 Use of phenylalkylamines for producing cholesterol lowering agents HOFFMANN LA ROCHE (CH) 2000-03-29 EP claimed