SCHEMBL8079876

SCHEMBL8079876

CCC(C)(C(=O)C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
RIPK1 Q13546 3/20 0.40
KIF11 P52732 2/20 0.39
DRD2 P14416 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 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
SCHEMBL1492728 0.83 CYP2C19 (0.50) CYP2C19HIF1AMAPTKMT2AHDAC3
SCHEMBL9577452 0.83 MIF (0.46) CYP2C19MAPTKMT2ALMNAHTT
SCHEMBL9577325 0.83 CYP2C19 (0.43) CYP2C19HIF1AMAPTKMT2AHDAC3
SCHEMBL11301851 0.82 L3MBTL1 (0.49) HIF1AMAPTKIF11LMNAL3MBTL1
SCHEMBL28938744 0.82 CYP2C19 (0.48) CYP2C19HIF1AMAPTKMT2AHDAC3
SCHEMBL28727593 0.82 CYP2C19 (0.48) CYP2C19HIF1AMAPTKMT2AHDAC3
SCHEMBL6722251 0.82 CYP2C19 (0.48) CYP2C19HIF1AMAPTKMT2AHDAC3
SCHEMBL28682985 0.82 CYP2C19 (0.48) CYP2C19HIF1AMAPTKMT2AHDAC3
SCHEMBL2030597 0.80 MAPT (0.59) CYP2C19HIF1AMAPTKMT2AHDAC3
SCHEMBL15893215 0.80 OPRM1 (0.50) CYP2C19HIF1AMAPTKMT2AHDAC3

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
CN-114182092-A Method for extracting uranium and thorium elements 陕西卫峰核电子有限公司 2022-03-15 CN disclosed
US-6013662-A ANTITUMOR, ANTICARCINOGENIC AGENTS RHONE-POULENC RORER S.A. (FR) 2000-01-11 US disclosed
EP-0407588-B1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEM RES (JP) 1993-12-08 EP disclosed
US-5028738-A Process for producing 2-oxo-3-aromatic carboxylic acid derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-07-02 US disclosed
EP-0407588-A1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-16 EP disclosed
EP-0386243-A1 PLATINUM (II) COMPLEXES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1990-09-12 EP disclosed
EP-0058918-B1 AZA ANALOGS OF AMINOACID DERIVATIVES AS ANTIHYPERTENSIVES MERCK & CO. INC. (US) 1986-01-29 EP disclosed
EP-0058918-A1 Aza analogs of aminoacid derivatives as antihypertensives MERCK & CO. INC. (US) 1982-09-01 EP disclosed