SCHEMBL9510734

SCHEMBL9510734

c1ccc2c(CP(Cc3cccc4ccccc34)Cc3cccc4ccccc34)cccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2D6 P10635 2/20 0.52
TDP1 Q9NUW8 2/20 0.50
ACP3 P15309 1/20 0.48
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
CA2 P00918 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 2/20 0.43
CYP2A6 P11509 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTRC Q99895 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MTNR1A P48039 1/20 0.42

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
SCHEMBL6681529 0.79 TDP1 (0.48) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL6680480 0.79 TDP1 (0.48) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL3047898 0.77 CYP1A2 (0.62) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL599659 0.77 CYP2C19 (0.62) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL29490353 0.77 CYP2C19 (0.62) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL3680960 0.77 CYP2D6 (0.48) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL11328087 0.75 CYP2C19 (0.60) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
Hydrogen Sulfide SCHEMBL11348128 0.75 CYP2C19 (0.60) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL20916948 0.75 CYP1A2 (0.60) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL5352914 0.75 CYP1A2 (0.61) CYP1A2CYP2C19CYP2C9CYP2D6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0379515-B1 LOW PRESSURE RHODIUM CATALYZED HYDROFORMYLATION OF OLEFINS EASTMAN KODAK CO (US) 1993-10-20 EP claimed
EP-0379515-A1 LOW PRESSURE RHODIUM CATALYZED HYDROFORMYLATION OF OLEFINS. EASTMAN KODAK CO (US) 1990-08-01 EP claimed
WO-1989001467-A1 LOW PRESSURE RHODIUM CATALYZED HYDROFORMYLATION OF OLEFINS EASTMAN KODAK COMPANY (US) 1989-02-23 WO claimed
EP-0379515-B1 LOW PRESSURE RHODIUM CATALYZED HYDROFORMYLATION OF OLEFINS EASTMAN KODAK CO (US) 1993-10-20 EP disclosed
EP-0379515-A1 LOW PRESSURE RHODIUM CATALYZED HYDROFORMYLATION OF OLEFINS. EASTMAN KODAK CO (US) 1990-08-01 EP disclosed
US-4871878-A HIGH SELECTIVITY TO ALDEHYDES USING AROMATIC PHOSPHINE IN CATALYST EASTMAN KODAK COMPANY (US) 1989-10-03 US disclosed
WO-1989001467-A1 LOW PRESSURE RHODIUM CATALYZED HYDROFORMYLATION OF OLEFINS EASTMAN KODAK COMPANY (US) 1989-02-23 WO disclosed
US-4053518-A PROCESS FOR TRIS(ARALKYL)PHOSPHINES AMERICAN CYANAMID COMPANY (US) 1977-10-11 US disclosed