SCHEMBL2880965

SCHEMBL2880965

CC(C)P(CCCNCCCP(C(C)C)C(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.33
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL1465708 0.82
Hydrochloric Acid SCHEMBL1465563 0.80
SCHEMBL18320850 0.80
SCHEMBL31166298 0.80
SCHEMBL20290278 0.79 LMNA (0.37)
SCHEMBL549315 0.78
SCHEMBL1057106 0.78
Hydrochloric Acid SCHEMBL1466425 0.78
Hydrochloric Acid SCHEMBL3630543 0.78
SCHEMBL1465922 0.76

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