SCHEMBL13744307

SCHEMBL13744307

COC(=O)NC1CCCC(CC2CCCC(NC=O)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 5/20 0.42
ADH1A P07327 5/20 0.42
ADH1C P00326 4/20 0.42
ADH7 P40394 3/20 0.42
BTK Q06187 1/20 0.38
ADH4 P08319 2/20 0.37
EPHX1 P07099 7/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
EPHX2 P34913 1/20 0.31
TSHR P16473 1/20 0.31
G6PD P11413 1/20 0.31

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
SCHEMBL12500923 0.84 ALDH1A1 (0.43) BTKEPHX1HPGDKMT2ANPSR1
SCHEMBL7958929 0.79 BTK (0.44) BTKEPHX1HPGDKMT2ANPSR1
SCHEMBL28047884 0.77 BTK (0.42) BTKEPHX1HPGDKMT2ANPSR1
SCHEMBL8162383 0.76 EPHX1 (0.44) BTKEPHX1HPGDKMT2ANPSR1
SCHEMBL7790384 0.76 BTK (0.51) BTKEPHX1KMT2ANPSR1EPHX2
SCHEMBL3613045 0.73 ADH1A (0.52) ADH1BADH1AADH1CADH7ADH4
SCHEMBL18412506 0.73 ADH1B (0.47) ADH1BADH1AADH1CADH7ADH4
SCHEMBL8163075 0.73 EPHX1 (0.47) BTKEPHX1HPGDKMT2ANPSR1
SCHEMBL423315 0.72
SCHEMBL22534833 0.70 EPHX1 (0.43) BTKEPHX1NPSR1EPHX2

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-7572873-B2 Castable golf ball components using acrylate functional resins ACUSHNET COMPANY (US) 2009-08-11 US disclosed
US-20070117952-A1 Castable golf ball components using acrylate functional resins ACUSHNET COMPANY 2007-05-24 US disclosed