SCHEMBL4537883

SCHEMBL4537883

c1ccc(P(Cc2cc3ccccc3c(-c3cccc4ccccc34)c2CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.37
CES1 P23141 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
MCL1 Q07820 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
SOS1 Q07889 1/20 0.33
DHFR P00374 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TYMP P19971 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALPL P05186 1/20 0.31

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
SCHEMBL5828913 0.82 DNMT1 (0.37) GPR84ALDH1A1HPGDMEN1KMT2A
SCHEMBL8043541 0.82 ALDH1A1 (0.31) GPR84ALDH1A1HPGDDHFRHSD17B10
SCHEMBL8061359 0.76
SCHEMBL14687259 0.75 GPR84 (0.44) GPR84ALDH1A1HPGDMEN1KMT2A
SCHEMBL3955072 0.74 ALDH1A1 (0.39) ALDH1A1MAPTTSHRHIF1AHSD17B10
SCHEMBL29447338 0.74 ALDH1A1 (0.39) ALDH1A1MAPTTSHRHIF1AHSD17B10
SCHEMBL8537985 0.74 DNMT1 (0.37) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL6681529 0.73 TDP1 (0.48) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL30516993 0.73 GPR84 (0.42) GPR84CES1ALDH1A1HPGDMEN1
SCHEMBL29695262 0.72 ALDH1A1 (0.38) ALDH1A1MAPTTSHRHIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2637993-A1 METHOD FOR HYDROFORMYLATION OF UNSATURATED COMPOUNDS Evonik Oxeno GmbH (DE) 2013-09-18 EP disclosed
WO-2012062558-A1 METHOD FOR HYDROFORMYLATION OF UNSATURATED COMPOUNDS EVONIK OXENO GMBH (DE) 2012-05-18 WO disclosed
EP-1456162-A2 METHOD FOR THE PRODUCTION OF ALDEHYDES Celanese Chemicals Europe GmbH (DE) 2004-09-15 EP disclosed
WO-2003050068-A2 METHOD FOR THE PRODUCTION OF ALDEHYDES CELANESE CHEMICALS EUROPE GMBH (DE) 2003-06-19 WO disclosed
US-5600006-A Bis(diarylalkyl)phosphines HOECHST A.G. (DE) 1997-02-04 US disclosed
WO-1989006653-A1 PREPARATION OF BIDENTATE LIGANDS EASTMAN KODAK COMPANY (US) 1989-07-27 WO disclosed