SCHEMBL7146652

SCHEMBL7146652

CCCC(Cc1ccccc1)OC(=O)C=CC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.57
CTSK P43235 8/20 0.54
TAAR1 Q96RJ0 1/20 0.47
CTSL P07711 4/20 0.45
CTSB P07858 4/20 0.45
CTSH P09668 2/20 0.41
SLC15A1 P46059 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL28500285 1.00 HCAR2 (0.57) HCAR2CTSKTAAR1CTSLCTSB
SCHEMBL1838075 0.82 CTSK (0.58) CTSKCTSLCTSBCTSHHDAC3
SCHEMBL9370319 0.82 CTSK (0.58) CTSKCTSLCTSBCTSHHDAC3
SCHEMBL2100840 0.81 HCAR2 (0.52) HCAR2CTSKHDAC1HDAC2
SCHEMBL2099662 0.81 HCAR2 (0.52) HCAR2CTSKHDAC1HDAC2
SCHEMBL448455 0.81 HCAR2 (0.52) HCAR2CTSKHDAC1HDAC2
SCHEMBL2289952 0.80 CTSK (0.56) CTSKCTSLCTSBCTSHHDAC3
SCHEMBL3482637 0.80 HCAR2 (0.61) HCAR2CTSKTAAR1CTSLCTSB
SCHEMBL12378816 0.80 CTSK (0.56) CTSKCTSLCTSBCTSHHDAC3
SCHEMBL3482646 0.80 HCAR2 (0.61) HCAR2CTSKTAAR1CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109843940-A The method for preparing chlorinated vinyl chloride resin 韩华化学株式会社 2019-06-04 CN disclosed
CN-109803987-A The method for preparing the polymer based on vinyl chloride 韩华化学株式会社 2019-05-24 CN disclosed
CN-1149239-C Polymer based on conjugated diene and dienophilic component �����ɷ� 2004-05-12 CN disclosed
US-6531563-B1 Addition polymers based on reused raw materials used as seals, coatings, adhesives and/or fillers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-03-11 US disclosed