SCHEMBL9257918

SCHEMBL9257918

OCCCCC/C=C/c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ITGB2 P05107 2/20 0.39
ICAM1 P05362 2/20 0.39
ITGAL P20701 2/20 0.39
TTR P02766 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
SCHEMBL9156812 1.00 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EGAAL3MBTL1
SCHEMBL15688496 0.82 TDP1 (0.43) ALDH1A1MAPTKDM4EGAAL3MBTL1
SCHEMBL5540570 0.82 TDP1 (0.47) ALDH1A1MAPTKDM4EGAAL3MBTL1
SCHEMBL15688498 0.82 TDP1 (0.43) ALDH1A1MAPTKDM4EGAAL3MBTL1
SCHEMBL5540574 0.82 TDP1 (0.47) ALDH1A1MAPTKDM4EGAAL3MBTL1
SCHEMBL12500455 0.82 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EGAAL3MBTL1
SCHEMBL5540599 0.80 TDP1 (0.48) ALDH1A1MAPTKDM4EGAAL3MBTL1
SCHEMBL5540601 0.80 TDP1 (0.48) ALDH1A1MAPTKDM4EGAAL3MBTL1
SCHEMBL10324416 0.80 PDE5A (0.44) ALDH1A1MAPTKDM4EGAAL3MBTL1
SCHEMBL3436152 0.80 PDE5A (0.44) ALDH1A1MAPTKDM4EGAAL3MBTL1

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
US-5447954-A Antilipidemic agents SMITHKLINE BEECHAM P.L.C. (GB) 1995-09-05 US disclosed
WO-1993022304-A1 PHENYLDERIVATE AS INHIBITORS OF ATP CITRATE LYASE SMITHKLINE BEECHAM PLC (GB) 1993-11-11 WO disclosed