SCHEMBL4841322

SCHEMBL4841322

CCc1ccc(P([N]P(c2ccc(CC)cc2)c2ccc(CC)cc2)c2ccc(CC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
PLAU P00749 1/20 0.40
CYP2A6 P11509 1/20 0.39
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CA2 P00918 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C9 P11712 1/20 0.36
LMNA P02545 1/20 0.35
TRPA1 O75762 1/20 0.34
MGLL Q99685 2/20 0.34
IDO1 P14902 2/20 0.34
PLK1 P53350 1/20 0.34

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
SCHEMBL150534 0.76 TP53 (0.48) TP53TAAR1PLAUCYP2A6LPL
SCHEMBL4837534 0.75 ESR1 (0.50) TAAR1
SCHEMBL36295 0.74 TP53 (0.67) TP53TAAR1PLAUCYP2A6LPL
SCHEMBL11312850 0.72 ALDH1A1 (0.44) TP53TAAR1PLAUCYP2A6LPL
Hydrochloric Acid SCHEMBL5430697 0.72 TP53 (0.43) TP53TAAR1PLAUCYP2A6LPL
SCHEMBL9290913 0.72 TP53 (0.43) TP53TAAR1PLAUCYP2A6LPL
SCHEMBL8346016 0.72 LPL (0.46) TP53TAAR1PLAUCYP2A6LPL
SCHEMBL2154600 0.72 ALDH1A1 (0.44) TP53TAAR1PLAUCYP2A6LPL
SCHEMBL2154440 0.72 TP53 (0.43) TP53TAAR1PLAUCYP2A6LPL
SCHEMBL7542835 0.71 TP53 (0.62) TP53TAAR1PLAUCYP2A6LPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378537-B2 Olefin oligomerization catalysts and methods of using same CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2008-05-27 US disclosed
US-20080027188-A1 OLEFIN OLIGOMERIZATION CATALYSTS AND METHODS OF USING SAME CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2008-01-31 US disclosed