SCHEMBL774870

SCHEMBL774870

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
EPHX1 P07099 1/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PREP P48147 1/20 0.38

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
SCHEMBL776366 0.96 HPGD (0.39) RAB9ACYP3A4HPGDCYP2C19EPHX1
SCHEMBL19538672 0.85 PSEN1 (0.36) RAB9ACYP3A4HPGDCYP2C19EPHX1
SCHEMBL11890375 0.83 RAB9A (0.58) RAB9ACYP3A4HPGDCYP2C19EPHX1
SCHEMBL6430011 0.83 USP2 (0.40) RAB9ACYP3A4HPGDCYP2C19EPHX1
SCHEMBL20340486 0.82 ALDH1A1 (0.37) RAB9ACYP3A4HPGDCYP2C19EPHX1
SCHEMBL8241745 0.82 EPHX1 (0.58) RAB9ACYP3A4HPGDCYP2C19EPHX1
SCHEMBL15678706 0.80 SMN1; SMN2 (0.45) RAB9ACYP3A4HPGDCYP2C19EPHX1
SCHEMBL15678707 0.80 SMN1; SMN2 (0.45) RAB9ACYP3A4HPGDCYP2C19EPHX1
SCHEMBL11890370 0.79 RAB9A (0.54) RAB9ACYP3A4HPGDCYP2C19EPHX1
SCHEMBL18199497 0.78 RAB9A (0.49) RAB9ACYP3A4HPGDCYP2C19EPHX1

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-8673998-B2 Polymer compositions with improved cold flow BRIDGESTONE CORPORATION (JP) 2014-03-18 US disclosed
US-20120071583-A1 POLYMER COMPOSITIONS WITH IMPROVED COLD FLOW BRIDGESTONE CORPORATION (JP) 2012-03-22 US disclosed