SCHEMBL28095278

SCHEMBL28095278

CCCC(Cc1ccccc1)OC=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.54
CTSL P07711 3/20 0.48
CTSB P07858 3/20 0.48
CTSH P09668 2/20 0.44
TAAR1 Q96RJ0 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX1 P07099 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
SIGMAR1 Q99720 4/20 0.39
POLB P06746 1/20 0.37
MAOA P21397 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL18085416 0.85 EPHX1 (0.48) CTSKCTSLCTSBTAAR1MEN1
SCHEMBL12630156 0.85 CTSK (0.44) CTSKCTSLCTSBMEN1KMT2A
SCHEMBL12630161 0.84 ACE (0.44) CTSKCTSLCTSBTAAR1MEN1
SCHEMBL10487993 0.83 CTSK (0.41) CTSKCTSLCTSBCTSHTAAR1
SCHEMBL12630207 0.82 CTSK (0.46) CTSKCTSLCTSBCTSHSIGMAR1
SCHEMBL8750563 0.80 CTSK (0.50) CTSKCTSLCTSBTAAR1EPHX1
SCHEMBL14402897 0.78 CTSK (0.46) CTSKCTSLCTSBTAAR1EPHX1
SCHEMBL11775572 0.78 CTSK (0.46) CTSKCTSLCTSBTAAR1EPHX1
SCHEMBL3678022 0.77 TAAR1 (0.55) CTSKCTSLCTSBCTSHTAAR1
SCHEMBL8698887 0.77 MME (0.46) CTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110387183-A A kind of aeroge multifunctional material and preparation method thereof 李金娣 2019-10-29 CN disclosed
CN-107266338-B The manufacturing method of isocyanates 旭化成株式会社 2019-10-11 CN disclosed
CN-105102422-B Method for producing isocyanate 旭化成株式会社 2018-01-09 CN disclosed
CN-107430332-A Method for reducing the defects of Ordered Film made of block copolymer 阿科玛法国公司 2017-12-01 CN disclosed
CN-107430331-A Method for making thick and high-period ordered films comprising block copolymers 阿科玛法国公司 2017-12-01 CN disclosed
CN-107430330-A Method for reducing the assembly time of ordered films made from block copolymers 阿科玛法国公司 2017-12-01 CN disclosed
CN-107406660-A Method for Improving Critical Dimension Uniformity of Ordered Films of Block Copolymers 阿科玛法国公司 2017-11-28 CN disclosed
CN-107266338-A The manufacture method of isocyanates 旭化成株式会社 2017-10-20 CN disclosed
CN-105175590-B Polyvinyl acetal resin 株式会社可乐丽 2017-10-03 CN disclosed
CN-105899585-A Plasticizer composition containing furan derivatives and 1,2-cyclohexanedicarboxylic ester 巴斯夫欧洲公司 2016-08-24 CN disclosed