SCHEMBL283047

SCHEMBL283047

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
SIGMAR1 Q99720 6/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
FAAH O00519 1/20 0.32
PHGDH O43175 1/20 0.32
MGLL Q99685 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
OPRK1 P41145 2/20 0.32
ATM Q13315 1/20 0.32
TSHR P16473 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
HPGD P15428 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
SCHEMBL283046 1.00 ALDH1A1 (0.33) ALDH1A1SIGMAR1LMNAGAAFAAH
SCHEMBL284320 1.00 ALDH1A1 (0.33) ALDH1A1SIGMAR1LMNAGAAFAAH
SCHEMBL15223835 0.93 SIGMAR1 (0.32) ALDH1A1SIGMAR1LMNA
SCHEMBL15223878 0.88 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL15223876 0.88 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL15223877 0.88 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL19400548 0.86 EPHX1 (0.39) ALDH1A1GAATSHR
SCHEMBL27010672 0.85 DPP4 (0.31)
SCHEMBL24260119 0.84 THRB (0.36) SIGMAR1
SCHEMBL27708886 0.84 SIGMAR1 (0.31) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077120-A1 PHOTORESISTS COMPRISING MULTI-AMIDE COMPONENT ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2012-03-29 US claimed
EP-2428842-A1 Photoresists comprising multi-amide component Rohm and Haas Electronic Materials LLC (US) 2012-03-14 EP claimed
EP-2428842-A1 Photoresists comprising multi-amide component Rohm and Haas Electronic Materials LLC (US) 2012-03-14 EP disclosed