SCHEMBL4587077

SCHEMBL4587077

CC(C)P(c1cccc([Pd])c1)C(C)C.CC(C)P(c1ccccc1)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.32
TAAR1 Q96RJ0 2/20 0.32
SLC6A4 P31645 2/20 0.32
MAOA P21397 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CYP2A6 P11509 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL301059 0.81 TDP1 (0.45) SLC6A2TAAR1SLC6A4MAOASLC6A3
SCHEMBL1241416 0.79 TDP1 (0.43) SLC6A2TAAR1SLC6A4MAOASLC6A3
SCHEMBL27626924 0.79 TDP1 (0.43) SLC6A2TAAR1SLC6A4MAOASLC6A3
SCHEMBL5569813 0.73 CYP3A4 (0.57) CYP3A4TDP1
SCHEMBL1577689 0.73 CYP3A4 (0.57) CYP3A4TDP1
SCHEMBL1742459 0.73 TDP1 (0.38) SLC6A2TAAR1SLC6A4MAOASLC6A3
SCHEMBL20560941 0.69 ALDH1A1 (0.43) TAAR1MAOASIGMAR1
SCHEMBL9075669 0.68
SCHEMBL27753879 0.65 UGT2B7 (0.45) CYP2A6CYP3A4TDP1
SCHEMBL11853866 0.65 SIGMAR1 (0.34) SLC6A2TAAR1SLC6A4MAOASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597287-A4 VINYL ADDITION POLYCYCLIC OLEFIN POLYMERS PREPARED WITH NON-OLEFINIC CHAIN TRANSFER AGENTS AND USES THEREOF PROMERUS LLC (US) 2008-12-17 EP disclosed
EP-1597287-A2 VINYL ADDITION POLYCYCLIC OLEFIN POLYMERS PREPARED WITH NON-OLEFINIC CHAIN TRANSFER AGENTS AND USES THEREOF Promerus LLC (US) 2005-11-23 EP disclosed
WO-2004076495-A2 VINYL ADDITION POLYCYCLIC OLEFIN POLYMERS PREPARED WITH NON-OLEFINIC CHAIN TRANSFER AGENTS AND USES THEREOF PROMERUS LLC (US) 2004-09-10 WO disclosed