SCHEMBL7003003

SCHEMBL7003003

CC(C(=O)O)c1csc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.57
APP P05067 1/20 0.53
PKM P14618 1/20 0.46
MAPT P10636 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
HSD17B2 P37059 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CMA1 P23946 1/20 0.42
CYP2A6 P11509 2/20 0.42

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
SCHEMBL29013450 1.00 ALOX5 (0.57) ALOX5APPPKMMAPTHDAC3
SCHEMBL29805312 1.00 ALOX5 (0.57) ALOX5APPPKMMAPTHDAC3
SCHEMBL8905371 0.85 ALOX5 (0.64) ALOX5APPPKMMAPTHDAC3
SCHEMBL11342299 0.83 ALOX5 (0.55) ALOX5APPPKMMAPTHDAC3
SCHEMBL6999400 0.82 ALOX5 (0.54) ALOX5APPPKMMAPTHDAC3
SCHEMBL753986 0.82 ALOX5 (0.54) ALOX5APPPKMMAPTHDAC3
SCHEMBL14622826 0.81 ALOX5 (0.59) ALOX5APPPKMMAPTHDAC3
SCHEMBL19682606 0.81 ALOX5 (0.59) ALOX5APPPKMMAPTHDAC3
SCHEMBL20889296 0.81 ALOX5 (0.59) ALOX5APPPKMMAPTHDAC3
SCHEMBL4478674 0.81 ALOX5 (0.51) ALOX5APPPKMMAPTHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240200049-A1 COMPOSITIONS AND METHODS OF USE THEREOF FOR MAKING POLYPEPTIDES WITH MANY INSTANCES OF NONSTANDARD AMINO ACIDS YALE UNIVERSITY 2024-06-20 US disclosed
CN-115043721-B Preparation method of alpha-substituted chiral carboxylic acid compound 山东师范大学 2024-03-26 CN disclosed
US-11649446-B2 Compositions and methods of use thereof for making polypeptides with many instances of nonstandard amino acids YALE UNIVERSITY (US) 2023-05-16 US disclosed
CN-115043721-A Preparation method of alpha-substituted chiral carboxylic acid compound 山东师范大学 2022-09-13 CN disclosed
US-20200190500-A1 COMPOSITIONS AND METHODS OF USE THEREOF FOR MAKING POLYPEPTIDES WITH MANY INSTANCES OF NONSTANDARD AMINO ACIDS YALE UNIVERSITY 2020-06-18 US disclosed
US-20160355802-A1 Compositions and Methods Of Use Thereof For Making Polypeptides With Many Instances Of Nonstandard Amino Acids YALE UNIVERSITY 2016-12-08 US disclosed
WO-2015120287-A2 COMPOSITIONS AND METHODS OF USE THEREOF FOR MAKING POLYPEPTIDES WITH MANY INSTANCES OF NONSTANDARD AMINO ACIDS YALE UNIVERSITY (US) 2015-08-13 WO disclosed
EP-1313736-A2 CONDENSED PYRAZINDIONE DERIVATIVES Lilly Icos LLC (US) 2003-05-28 EP disclosed
WO-2002000657-A2 CONDENSED PYRAZINDIONE DERIVATIVES LILLY ICOS LLC (US) 2002-01-03 WO disclosed