SCHEMBL8903149

SCHEMBL8903149

O=C(c1ccc(I)cc1)c1ccc(OC/C=C/CBr)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.48
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
GAA P10253 1/20 0.40
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SRD5A2 P31213 1/20 0.38
PPARA Q07869 1/20 0.37
PSMB1 P20618 1/20 0.36
PSMB5 P28074 1/20 0.36
PSMB2 P49721 1/20 0.36
APP P05067 3/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL8903155 1.00 LSS (0.48) LSSRXRARXRBGAAKMT2A
SCHEMBL9360157 0.86 GAA (0.55) LSSGAAKMT2ASRD5A2PPARA
SCHEMBL7685512 0.86 LSS (0.62) LSSRXRARXRBKMT2ANPSR1
SCHEMBL9360152 0.86 GAA (0.55) LSSGAAKMT2ASRD5A2PPARA
SCHEMBL7685521 0.86 LSS (0.62) LSSRXRARXRBKMT2ANPSR1
SCHEMBL8902853 0.85 LSS (0.48) LSSKMT2ANPSR1MEN1LMNA
SCHEMBL8044759 0.85 LSS (0.48) LSSKMT2ANPSR1MEN1LMNA
SCHEMBL8905081 0.82 ALDH1A1 (0.49) LSSMAPTRAB9AALDH1A1
SCHEMBL8047800 0.82 ALDH1A1 (0.49) LSSMAPTRAB9AALDH1A1
SCHEMBL8047698 0.81 SRD5A2 (0.47) LSSSRD5A2ALDH1A1

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