SCHEMBL10282953

SCHEMBL10282953

CCC(=O)C1=CCCC=C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
PTGS1 P23219 1/20 0.32
DRD3 P35462 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL13474837 0.84 HSD17B3 (0.37) ALDH1A1TDP1SMN1; SMN2L3MBTL1HPGD
SCHEMBL10477869 0.79 GSK3B (0.34) ALDH1A1MAPTSMN1; SMN2
SCHEMBL975860 0.79 GSK3B (0.34)
SCHEMBL903415 0.78
SCHEMBL25912484 0.75
SCHEMBL172482 0.75
SCHEMBL4467924 0.75 ALDH1A1 (0.41) MEN1CYP3A4KMT2AALDH1A1TDP1
SCHEMBL20015677 0.75 ALOX15 (0.36) KMT2AL3MBTL1
SCHEMBL149091 0.73
SCHEMBL24860532 0.72 SMN1; SMN2 (0.38) MEN1KMT2AMAPTSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3142617-B1 PHOTORESPONSIVE POLYMERS FOR ADHESIVE APPLICATIONS UNIV AKRON (US) 2021-11-03 EP disclosed
WO-2012051036-A1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-04-19 WO disclosed
WO-2012008510-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE SAME FUJIFILM CORPORATION (JP) 2012-01-19 WO disclosed
EP-1764647-B1 Use of a positive resist composition for immersion exposure, positive resist composition and immersion lithographic pattern-forming method using the same FUJIFILM CORP (JP) 2011-08-17 EP disclosed
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 EP disclosed