SCHEMBL8902853

SCHEMBL8902853

O=C(c1ccc(F)cc1)c1ccc(OCC=CCBr)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 5/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NR4A2 P43354 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAOB P27338 3/20 0.43
PARP10 Q53GL7 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
PTPN1 P18031 1/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
LTA4H P09960 1/20 0.41
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL8044759 1.00 LSS (0.48) LSSLMNASMN1; SMN2NR4A2ALDH1A1
SCHEMBL7685521 0.86 LSS (0.62) LSSLMNANPSR1MAOBMEN1
SCHEMBL7685512 0.86 LSS (0.62) LSSLMNANPSR1MAOBMEN1
SCHEMBL9360157 0.86 GAA (0.55) LSSLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL9360152 0.86 GAA (0.55) LSSLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL8903155 0.85 LSS (0.48) LSSLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL8903149 0.85 LSS (0.48) LSSLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL8047698 0.84 SRD5A2 (0.47) LSSALDH1A1MAOBPTPN1
SCHEMBL8902485 0.84 SRD5A2 (0.47) LSSALDH1A1MAOBPTPN1
SCHEMBL8905081 0.82 ALDH1A1 (0.49) LSSALDH1A1PARP10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5637771-A Compound useful for lowering cholesterol HOFFMANN-LA ROCHE INC. (US) 1997-06-10 US disclosed
US-5574071-A ADMINISTERING PHENYLALKYLAMINO KETONES HOFFMANN-LA ROCHE INC. (US) 1996-11-12 US disclosed
US-5495048-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed