SCHEMBL1639593

SCHEMBL1639593

O=C(O)N(CCS)CC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.36
FABP7 O15540 2/20 0.36
FABP5 Q01469 2/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 4/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL25373589 0.86 ALDH1A1 (0.41) HTR2ATSHRCYP1A2FABP7FABP5
SCHEMBL16242267 0.86 KMT2A (0.40) HTR2ATSHRCYP1A2FABP7FABP5
SCHEMBL17454912 0.84 HTR2A (0.46) HTR2ATSHRCYP1A2FABP7FABP5
SCHEMBL16194095 0.83 HDAC1 (0.38) HTR2ATSHRCYP1A2FABP7FABP5
Hydrochloric Acid SCHEMBL31031926 0.83 HTR2A (0.44) HTR2ATSHRCYP1A2FABP7FABP5
SCHEMBL17798400 0.82 HTR2A (0.36) HTR2ATSHRCYP1A2FABP7FABP5
SCHEMBL16193530 0.82 TSHR (0.36) HTR2ATSHRCYP1A2FABP7FABP5
SCHEMBL13723708 0.81 HDAC1 (0.38) HTR2ATSHRCYP1A2FABP7FABP5
SCHEMBL18281204 0.81 HTR2A (0.35) HTR2ATSHRCYP1A2FABP7FABP5
SCHEMBL15155957 0.81 HDAC1 (0.38) HTR2ATSHRCYP1A2FABP7FABP5

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
US-8536242-B2 Photocurable composition SEKISUI CHEMICAL CO., LTD. (JP) 2013-09-17 US disclosed
US-8217096-B2 Photocurable pressure-sensitive adhesive composition SEKISUI CHEMICAL CO., LTD. (JP) 2012-07-10 US disclosed
US-20110097669-A1 PHOTOCURABLE COMPOSITION SEKISUI CHEMICAL CO., LTD. (JP) 2011-04-28 US disclosed
US-20100184880-A1 PHOTOCURABLE PRESSURE-SENSITIVE ADHESIVE COMPOSITION SEKISUI CHEMICAL CO., LTD. (JP) 2010-07-22 US disclosed