SCHEMBL19933010

SCHEMBL19933010

NCC1CCCC(CNCC2CCC(CN)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.53
PLG P00747 1/20 0.43
PLAT P00750 1/20 0.43
LMNA P02545 1/20 0.43
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
NCF1 P14598 1/20 0.36
SAT1 P21673 1/20 0.35
EPHX1 P07099 3/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL19780933 0.92 CYP2D6 (0.48) CYP2D6PLGPLATLMNAADH1B
SCHEMBL1678325 0.87 ADH1B (0.52) CYP2D6ADH1BADH1CADH1AADH4
SCHEMBL1678387 0.84 ADH1B (0.55) CYP2D6ADH1BADH1CADH1AADH4
SCHEMBL3058521 0.84 PLG (0.48) CYP2D6PLGPLATLMNAADH1B
SCHEMBL25895829 0.83 CYP2D6 (0.42) CYP2D6PLGPLATLMNAADH1B
SCHEMBL19769337 0.81 SAT1 (0.42) CYP2D6PLGPLATLMNATPSAB1
SCHEMBL25047164 0.81 ADH1B (0.59) CYP2D6ADH1BADH1CADH1AADH4
Hydrochloric Acid SCHEMBL29072160 0.81 ADH1B (0.52) CYP2D6ADH1BADH1CADH1AADH4
SCHEMBL1679009 0.81 ADH1B (0.52) CYP2D6ADH1BADH1CADH1AADH4
SCHEMBL3692762 0.81 NCF1 (0.48) CYP2D6PLGPLATLMNAADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3290459-A1 POLYAMIDE RESIN, POLYAMIDE RESIN COMPOSITION CONTAINING SAME, PREPARATION METHOD THEREFOR, AND MOLDED PRODUCT INCLUDING SAME Lotte Advanced Materials Co., Ltd. (KR) 2018-03-07 EP disclosed