SCHEMBL9681641

SCHEMBL9681641

CC(=O)OCCOc1ccc(C=Cc2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.46
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
TTR P02766 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARA Q07869 4/20 0.43
ALB P02768 1/20 0.42
MAOB P27338 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41

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
SCHEMBL9681637 1.00 PTPN1 (0.46) PTPN1KDM4EMEN1LMNATTR
SCHEMBL10061395 0.92 ALB (0.49) PTPN1PPARAALBMAOBABCG2
SCHEMBL2719046 0.91 PTGS2 (0.44) MAPTSMN1; SMN2PTGS2
SCHEMBL20024746 0.88 PPARA (0.51) PTPN1KDM4EMEN1LMNATTR
SCHEMBL9317383 0.87 POLB (0.48) PTPN1PPARAALBMAOBPTGS1
SCHEMBL9317387 0.87 POLB (0.48) PTPN1PPARAALBMAOBPTGS1
SCHEMBL9318531 0.85 THRB (0.56) PTPN1PPARAALBMAOBPTGS1
SCHEMBL9318533 0.85 THRB (0.56) PTPN1PPARAALBMAOBPTGS1
SCHEMBL9681048 0.82 PTPN1 (0.47) PTPN1CYP3A4SMN1; SMN2PPARAALB
SCHEMBL9681054 0.82 PTPN1 (0.47) PTPN1CYP3A4SMN1; SMN2PPARAALB

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