SCHEMBL6956048

SCHEMBL6956048

NC(=O)CCc1ccc2c(c1)OCC=C2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.45
CAPN1 P07384 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL6956052 0.78 STS (0.44) STSHDAC1HDAC2HDAC3HDAC6
SCHEMBL28222960 0.77 STS (0.49) STSTAAR1
SCHEMBL28922787 0.77 STS (0.45) STS
SCHEMBL6649922 0.74 STS (0.54) STSALDH1A1TSHRSMN1; SMN2
SCHEMBL300007 0.74 TAAR1 (0.62) TRPM8HDAC1HDAC2ALDH1A1HDAC3
SCHEMBL4698724 0.74 TSHR (0.53) TRPM8HDAC1HDAC2ALDH1A1LMNA
SCHEMBL30779639 0.74 STS (0.57) STS
SCHEMBL5534601 0.72 STS (0.40) STSHDAC1HDAC2HDAC3HDAC6
SCHEMBL19155453 0.72 CAPN1 (0.41) CAPN1ALDH1A1LMNA
SCHEMBL8611798 0.72 MTNR1A (0.44) ALDH1A1LMNAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901483-B1 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LTD (GB) 2003-07-09 EP disclosed
US-5981572-A Benzofurans and benzopyrans as chronobiological agents GLAXO WELLCOME INC. (US) 1999-11-09 US disclosed