SCHEMBL2880133

SCHEMBL2880133

CC(c1cccc(N)c1C(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.30
TSHR P16473 1/20 0.30
PIK3CA P42336 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3159077 0.79 SOAT2 (0.30)
SCHEMBL8467150 0.79 CYP3A4 (0.39) CYP3A4TSHR
SCHEMBL3169255 0.76
SCHEMBL2881590 0.74 CYP3A4 (0.34) CYP3A4TSHRPIK3CA
SCHEMBL2877057 0.73 CYP3A4 (0.33) CYP3A4TSHRPIK3CA
SCHEMBL7059781 0.71 ALDH1A1 (0.47)
SCHEMBL5454194 0.71 CYP3A4 (0.32) CYP3A4
SCHEMBL2879676 0.70 ALDH1A1 (0.32) CYP3A4TSHRPIK3CA
SCHEMBL3963448 0.69 CYP3A4 (0.41) CYP3A4
SCHEMBL7781865 0.66 TAAR1 (0.39) CYP3A4TSHR

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
US-8436111-B2 Nickel catalyst system for the preparation of high CIS polybutadiene BRIDGESTONE CORPORATION (JP) 2013-05-07 US claimed
US-20100093920-A1 NICKEL CATALYST SYSTEM FOR THE PREPARATION OF HIGH CIS POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2010-04-15 US claimed
US-8436111-B2 Nickel catalyst system for the preparation of high CIS polybutadiene BRIDGESTONE CORPORATION (JP) 2013-05-07 US disclosed
US-20100093920-A1 NICKEL CATALYST SYSTEM FOR THE PREPARATION OF HIGH CIS POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2010-04-15 US disclosed