SCHEMBL9681048

SCHEMBL9681048

CS(=O)(=O)c1ccc(/C=C/c2ccc(OCCO)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.47
PTGS2 P35354 2/20 0.46
PTGS1 P23219 1/20 0.46
CHRNB4 P30926 2/20 0.45
CHRNA3 P32297 2/20 0.45
CHRNA7 P36544 2/20 0.45
CHRNA10 Q9GZZ6 1/20 0.45
CHRNA9 Q9UGM1 1/20 0.45
AHR P35869 1/20 0.44
PPARA Q07869 2/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALB P02768 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
NR1I2 O75469 1/20 0.42
GCK P35557 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL9681054 1.00 PTPN1 (0.47) PTPN1PTGS2PTGS1CHRNB4CHRNA3
SCHEMBL4390921 0.90 ALDH1A1 (0.50) PTGS2PTGS1CYP3A4SMN1; SMN2NR1I2
SCHEMBL20024728 0.83 ALDH1A1 (0.58) PTGS2PTGS1CHRNB4CHRNA3CHRNA7
SCHEMBL9681641 0.82 PTPN1 (0.46) PTPN1PTGS2PTGS1CHRNB4CHRNA3
SCHEMBL9681637 0.82 PTPN1 (0.46) PTPN1PTGS2PTGS1CHRNB4CHRNA3
SCHEMBL29771378 0.81 APP (0.50) PTGS2PTGS1CYP3A4SMN1; SMN2NR1I2
SCHEMBL10061395 0.80 ALB (0.49) PTPN1PPARAALBMAOB
SCHEMBL9190264 0.80 ALDH1A1 (0.61) PTGS2PPARASMN1; SMN2NR1I2
SCHEMBL9318533 0.79 THRB (0.56) PTPN1PTGS2PTGS1PPARAALB
SCHEMBL9318531 0.79 THRB (0.56) PTPN1PTGS2PTGS1PPARAALB

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-0464904-A2 An optical article exhibiting a high level of second order polarization susceptibility EASTMAN KODAK COMPANY (US) 1992-01-08 EP disclosed
US-5029979-A Optical article exhibiting a high level of second order polarization susceptibility EASTMAN KODAK COMPANY (US) 1991-07-09 US disclosed