SCHEMBL6916656

SCHEMBL6916656

CCCCc1c(P)ccc(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.36
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TYR P14679 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TSHR P16473 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL28241668 0.85 SKP2 (0.37) SKP2HTTNPC1HPGDMAPK1
SCHEMBL28241665 0.78 PTGS2 (0.38) HTTMAPTCYP3A4TYRTSHR
SCHEMBL28247083 0.77 TYR (0.43) SKP2HTTNPC1HPGDMAPK1
SCHEMBL1238349 0.75 TYR (0.41) SKP2HTTNPC1HPGDMAPK1
SCHEMBL2697153 0.75 HTT (0.37) SKP2HTTNPC1HPGDMAPK1
SCHEMBL30945773 0.75 HPGD (0.48) SKP2HTTNPC1HPGDMAPK1
SCHEMBL983815 0.75 HPGD (0.48) SKP2HTTNPC1HPGDMAPK1
SCHEMBL9359662 0.75 SKP2 (0.53) SKP2HTTNPC1HPGDMAPK1
SCHEMBL29487433 0.74 TYR (0.44) SKP2HTTCYP3A4TYRKDM4E
SCHEMBL5933485 0.74 TYR (0.44) SKP2HTTCYP3A4TYRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1003754-B1 METHOD OF MANUFACTURING PHOSPHINE COMPOUND LUCITE INT UK LTD (GB) 2004-02-11 EP disclosed
EP-1064288-B1 PROCESS FOR THE PREPARATION OF BISPHOSPHINES LUCITE INT UK LTD (GB) 2003-05-02 EP disclosed
US-6376715-B1 FROM AN ORGANOMETALLIC COMPOUND INEOS ACRYLICS U.K. LIMITED (GB) 2002-04-23 US disclosed
US-6335471-B1 REACTING DIHALOALKYL ARYL COMPOUND WITH METAL TO FORM GRIGNARD REAGENT, REACTING WITH DISUBSTITUTED PHOSPHINE HALIDE TO FORM DIPHOSPHINE COMPOUND USEFUL AS LIGAND FOR CARBONYLATION CATALYSTS INEOS ACRYLICS UK LIMITED (GB) 2002-01-01 US disclosed