SCHEMBL6450535

SCHEMBL6450535

CC(=CC(Cc1ccccc1)N(C)C)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
SLC7A5 Q01650 1/20 0.45
EPHX1 P07099 1/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
SLC15A1 P46059 1/20 0.40
CYP1A2 P05177 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SRR Q9GZT4 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTRB1 P17538 2/20 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
SCHEMBL6450581 0.88 HPGD (0.46) ALPIPKMPTGS1XIAPSLC7A5
(Chloromethyl)Benzene SCHEMBL21631057 0.82 ALDH1A1 (0.33) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28201841 0.77 EPHX1 (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4575208 0.75 ALPI (0.44) ALPIPKMPTGS1XIAPSLC7A5
Acetic Acid SCHEMBL9818654 0.74
SCHEMBL6606461 0.73 TAAR1 (0.47) EPHX1HPGDALDH1A1MAPTCYP1A2
SCHEMBL3343241 0.73 TAAR1 (0.47) EPHX1HPGDALDH1A1MAPTCYP1A2
SCHEMBL33997 0.73 TDP1 (0.31)
SCHEMBL7290715 0.73 TDP1 (0.31)
Hydrochloric Acid SCHEMBL153917 0.72 TDP1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1504044-A2 CORE-SHELL POLYMERIC COMPOSITIONS MEADWESTVACO CORPORATION, Law Department (US) 2005-02-09 EP claimed
US-6767638-B2 Core-shell polymeric compositions MEADWESTVACO CORPORATION 2004-07-27 US claimed
WO-2003097709-A2 CORE-SHELL POLYMERIC COMPOSITIONS MEADWESTVACO CORPORATION (US) 2003-11-27 WO claimed
US-20030215604-A1 Core-shell polymeric compositions WESTVACO CORPORATION (US) 2003-11-20 US claimed
EP-1504044-A2 CORE-SHELL POLYMERIC COMPOSITIONS MEADWESTVACO CORPORATION, Law Department (US) 2005-02-09 EP disclosed
US-6767638-B2 Core-shell polymeric compositions MEADWESTVACO CORPORATION 2004-07-27 US disclosed
WO-2003097709-A2 CORE-SHELL POLYMERIC COMPOSITIONS MEADWESTVACO CORPORATION (US) 2003-11-27 WO disclosed
US-20030215604-A1 Core-shell polymeric compositions WESTVACO CORPORATION (US) 2003-11-20 US disclosed