SCHEMBL2848628

SCHEMBL2848628

NC(c1ccccc1P(C1CCCCC1)C1CCCCC1)c1ccccc1P(C1CCCCC1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.38
IDO1 P14902 2/20 0.32
METAP2 P50579 3/20 0.31
METAP1 P53582 2/20 0.31
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
ACP3 P15309 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
SCHEMBL16640270 0.85 ROCK2 (0.36) ROCK2IDO1ACP3
SCHEMBL2846316 0.81 TAAR1 (0.34) ROCK2IDO1METAP2METAP1ACP3
SCHEMBL1315359 0.80 ROCK2 (0.35) ROCK2IDO1
SCHEMBL16694758 0.80 ROCK2 (0.44) ROCK2
SCHEMBL8000143 0.78 ROCK2 (0.35) ROCK2
SCHEMBL1314189 0.78 ROCK2 (0.33) ROCK2
SCHEMBL19170233 0.77 ROCK2 (0.37) ROCK2
SCHEMBL17583591 0.77 ROCK2 (0.33) ROCK2
SCHEMBL16694354 0.76 SLC6A2 (0.34) ROCK2
SCHEMBL14905782 0.76 GAA (0.43) ROCK2IDO1

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