SCHEMBL4624368

SCHEMBL4624368

OP(O)Oc1cccc2c3ccc4ccccc4c3c3c4ccccc4ccc3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
CYP1A2 P05177 4/20 0.39
THRB P10828 1/20 0.39
HPRT1 P00492 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
RAB9A P51151 2/20 0.37
ERBB2 P04626 1/20 0.37
FYN P06241 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
AHR P35869 1/20 0.37
CYP3A4 P08684 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
ATM Q13315 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL7492914 0.84 ALDH1A1 (0.39) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL28164845 0.81 HPRT1 (0.52) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL6057475 0.80 ALDH1A1 (0.47) HSD17B10ALDH1A1HPGDCYP1A2L3MBTL1
SCHEMBL4851875 0.73 HSD17B10 (0.71) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL11299922 0.73 HPRT1 (0.60) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL11047499 0.73 ALDH1A1 (0.46) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL4851944 0.71 HPRT1 (0.65) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL4624529 0.71 KDM4E (0.34) HSD17B10ALDH1A1MAPK1KDM4EKMT2A
SCHEMBL29697319 0.71 HPRT1 (0.72) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL1038972 0.71 HPRT1 (0.72) HSD17B10ALDH1A1HPGDCYP1A2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1394168-B1 Process for the preparation of phosphites and complexes with transition metals SALTIGO GMBH (DE) 2008-05-21 EP claimed
US-6992201-B2 Process for preparing phosphites and transition metal complexes BAYER AKTIENGESELLSCHAFT (DE) 2006-01-31 US claimed
US-20040116726-A1 Process for preparing phosphites and transition metal complexes LANXESS DEUTSCHLAND GMBH (DE) 2004-06-17 US claimed
US-6992201-B2 Process for preparing phosphites and transition metal complexes BAYER AKTIENGESELLSCHAFT (DE) 2006-01-31 US disclosed
US-20040116726-A1 Process for preparing phosphites and transition metal complexes LANXESS DEUTSCHLAND GMBH (DE) 2004-06-17 US disclosed