SCHEMBL9510685

SCHEMBL9510685

c1ccc2cc(CP(Cc3ccc4ccccc4c3)Cc3ccc4ccccc4c3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
CYP2A6 P11509 1/20 0.58
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
MC4R P32245 2/20 0.46
MC5R P33032 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
KMT2A Q03164 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
MC3R P41968 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
ALOX5 P09917 1/20 0.43

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
SCHEMBL11761694 0.87 CYP2A6 (0.61) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL11762652 0.82 CYP2A6 (0.59) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL6677360 0.79 CYP1A2 (0.50) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL6682306 0.79 CYP1A2 (0.50) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL2838141 0.77 CYP1A2 (0.65) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL29560700 0.77 CYP1A2 (0.65) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL6240981 0.77 CYP1A2 (0.65) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL11762648 0.76 CYP1A2 (0.46) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL4988584 0.74 CYP1A2 (0.55) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL7439598 0.73 CYP1A2 (0.60) CYP1A2CYP2A6HTR2AHTR2CHTR2B

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-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
US-4873213-A TRIBENZYLPHOSPHINE COMPLEXES; SELECTIVITY EASTMAN CHEMICAL COMPANY 1989-10-10 US disclosed
US-4871878-A HIGH SELECTIVITY TO ALDEHYDES USING AROMATIC PHOSPHINE IN CATALYST EASTMAN KODAK COMPANY (US) 1989-10-03 US disclosed