SCHEMBL6450581

SCHEMBL6450581

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AKR1C3 P42330 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CTRB1 P17538 3/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
UBE2N P61088 1/20 0.39

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
SCHEMBL6450535 0.88 ALPI (0.45) HPGDALPIPKMPTGS1XIAP
SCHEMBL18039561 0.79 MME (0.43) HPGDALDH1A1MEN1KMT2ANPC1
SCHEMBL18039615 0.79 MME (0.43) HPGDALDH1A1MEN1KMT2ANPC1
SCHEMBL18039657 0.79 MC4R (0.43) HPGDALDH1A1MAPT
SCHEMBL18039655 0.79 MC4R (0.43) HPGDALDH1A1MAPT
SCHEMBL18039558 0.79 MME (0.43) HPGDALDH1A1MEN1KMT2ANPC1
SCHEMBL18039614 0.79 MME (0.43) HPGDALDH1A1MEN1KMT2ANPC1
SCHEMBL12193980 0.78 NPC1 (0.47) HPGDALPIPKMPTGS1XIAP
SCHEMBL28474427 0.78 NPC1 (0.47) HPGDALPIPKMPTGS1XIAP
SCHEMBL29077053 0.77 SLC7A5 (0.55) ALPIPKMPTGS1XIAPSLC7A5

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