SCHEMBL3922151

SCHEMBL3922151

C[S+](C)CC(=O)c1ccc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.60
HPGD P15428 4/20 0.60
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 4/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 2/20 0.57
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
HDAC1 Q13547 4/20 0.49
HDAC8 Q9BY41 1/20 0.49
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
EGFR P00533 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47

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
SCHEMBL561093 0.87 ALDH1A1 (0.61) PTPN1SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL3221672 0.86 SMN1; SMN2 (0.47) PTPN1SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL30623333 0.79 SMN1; SMN2 (0.72) PTPN1SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL1317943 0.79 SMN1; SMN2 (0.72) PTPN1SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL29489791 0.79 PTPN1 (0.71) PTPN1SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL1974978 0.79 PTPN1 (0.71) PTPN1SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL685950 0.78 SMN1; SMN2 (0.52) PTPN1SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL30375368 0.77 PTPN1 (0.69) PTPN1SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL1448153 0.77 PTPN1 (0.69) PTPN1SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL28345275 0.77 PTPN1 (0.69) PTPN1SMN1; SMN2HPGDKDM4EALDH1A1

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
EP-1791888-B1 POLYCYCLOOLEFIN POLYMERIC COMPOSITIONS FOR SEMICONDUCTOR APPLICATIONS PROMERUS LLC (US) 2009-03-25 EP disclosed
EP-1791888-A1 POLYCYCLOOLEFIN POLYMERIC COMPOSITIONS FOR SEMICONDUCTOR APPLICATIONS Promerus, LLC (US) 2007-06-06 EP disclosed
WO-2006023511-A1 POLYCYCLOOLEFIN POLYMERIC COMPOSITIONS FOR SEMICONDUCTOR APPLICATIONS PROMERUS LLC (US) 2006-03-02 WO disclosed
US-20060041093-A1 Polycycloolefin polymeric compositions for semiconductor applications SUMITOMO BAKELITE CO., LTD. (JP) 2006-02-23 US disclosed