SCHEMBL7558091

SCHEMBL7558091

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.61
CES2 O00748 1/20 0.54
AKR1B1 P15121 1/20 0.54
PAM P19021 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CTBP2 P56545 1/20 0.44
EPHX2 P34913 1/20 0.44
ABCC4 O15439 1/20 0.42
LMNA P02545 1/20 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
SCHEMBL855690 0.84 CES1 (0.63) CES1CES2AKR1B1PAMMEN1
SCHEMBL22319310 0.82 CES1 (0.55) CES1CES2AKR1B1PAMMEN1
SCHEMBL16405134 0.81 CES1 (0.70) CES1CES2AKR1B1PAMMEN1
SCHEMBL2235168 0.81 CES1 (0.59) CES1CES2AKR1B1PAMMEN1
SCHEMBL12902954 0.81 CES1 (0.59) CES1CES2AKR1B1PAMMEN1
SCHEMBL9791592 0.81 CA2 (0.54) FNTAFNTBMAPK1CTBP2LMNA
SCHEMBL1538109 0.79 CES1 (0.57) CES1CES2AKR1B1PAMMEN1
SCHEMBL1195864 0.79 CES1 (0.57) CES1CES2AKR1B1PAMMEN1
SCHEMBL6182221 0.79 RXRA (0.39) CES1ALDH1A1L3MBTL1EPHX2LMNA
SCHEMBL28913550 0.79 ALDH1A1 (0.59) CES1MEN1KMT2AHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116574254-A Bismaleimide compound, composition containing the compound, polybenzoxazole, and semiconductor device 日本化药株式会社 2023-08-11 CN disclosed
CN-108137478-B Compound, composition thereof, purification method, resist pattern formation method, and amorphous film production method 三菱瓦斯化学株式会社 2021-09-28 CN disclosed
CN-107533290-B Resist base material, resist composition, and method for forming resist pattern 三菱瓦斯化学株式会社 2021-04-09 CN disclosed
CN-105264440-B Anti-corrosion agent composition 三菱瓦斯化学株式会社 2019-09-24 CN disclosed
CN-104737073-B Anti-corrosion agent composition 三菱瓦斯化学株式会社 2019-03-08 CN disclosed
CN-104437621-B Catalyst system and catalyzing for alkynol hydration reaction synthesis alpha-alcohol ketone 中国科学院化学研究所 2016-07-13 CN disclosed
US-20020165324-A1 Contact lens material BIOCOMPATIBLES LIMITED 2002-11-07 US disclosed
US-6423761-B1 CONTAINING ZWITTERION MONOMER BIOCOMPATIBLES LIMITED (GB) 2002-07-23 US disclosed
US-6420453-B1 ACRYLIC ESTER MONOMERS WITH PHOSPHATE GROUPS FOR CONTACT LENSES BIOCOMPATIBLES LIMITED (GB) 2002-07-16 US disclosed
EP-0555295-B1 CONTACT LENS MATERIAL BIOCOMPATIBLES LTD (GB) 1996-12-18 EP disclosed
EP-0555295-A1 CONTACT LENS MATERIAL. BIOCOMPATIBLES LTD (GB) 1993-08-18 EP disclosed
WO-1992007885-A1 CONTACT LENS MATERIAL BIOCOMPATIBLES LIMITED (GB) 1992-05-14 WO disclosed
US-4117110-A GELS, DEODORIZERS GLOBOL WERK GMBH (DE) 1978-09-26 US disclosed