SCHEMBL9505616

SCHEMBL9505616

CC(N)[C@H]1CC[C@@H](C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.46
ROCK1 Q13464 5/20 0.46
PKN2 Q16513 4/20 0.46
RPS6KA5 O75582 3/20 0.46
LRRK2 Q5S007 3/20 0.46
TP53 P04637 2/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
PRKD3 O94806 2/20 0.46
CDK1 P06493 2/20 0.46
CDK2 P24941 2/20 0.46
LTK P29376 2/20 0.46
CDK8 P49336 2/20 0.46
PRKX P51817 2/20 0.46
PRKCQ Q04759 2/20 0.46
PRKCD Q05655 2/20 0.46
STK3 Q13188 2/20 0.46
CDC42BPA Q5VT25 2/20 0.46
BRSK1 Q8TDC3 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46

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
SCHEMBL5147855 1.00 ROCK2 (0.46) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL3501685 1.00 ROCK2 (0.46) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL9294286 0.87 ROCK2 (0.41) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL5146249 0.82 ROCK2 (0.46) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL1692318 0.81 ROCK2 (0.43) ROCK2ROCK1TSHRLMNAPLG
SCHEMBL10270877 0.81 ROCK2 (0.43) ROCK2ROCK1TSHRLMNAPLG
SCHEMBL824154 0.81 ROCK2 (0.43) ROCK2ROCK1TSHRLMNAPLG
Hydrochloric Acid SCHEMBL1692312 0.79 ROCK2 (0.42) ROCK2ROCK1PKN2TP53CYP3A4
SCHEMBL6054184 0.79 LMNA (0.41) ROCK2ROCK1TP53TSHRLMNA
SCHEMBL16750980 0.79 LMNA (0.41) ROCK2ROCK1TP53TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0329105-B1 MOLECULAR WEIGHT CONTROLLER FOR POLYMERIZATION OF LACTAMS TO POLYAMIDES BASF Corporation (US) 1993-07-07 EP claimed
US-5006635-A Monofunctional amine, monofunctional acid, salt of aminoacid, polyamides BASF CORPORATION (US) 1991-04-09 US claimed
EP-0329105-A2 Molecular weight controller for polymerization of lactams to polyamides BASF Corporation (US) 1989-08-23 EP claimed
US-5006635-A Monofunctional amine, monofunctional acid, salt of aminoacid, polyamides BASF CORPORATION (US) 1991-04-09 US disclosed
US-4844834-A Molecular weight controller for polymerization of lactams to polyamides BASF CORPORATION (US) 1989-07-04 US disclosed