SCHEMBL14874331

SCHEMBL14874331

COC(=O)C1C2CCC(CC2)C1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.50
PTPN1 P18031 1/20 0.50
PPP1CC P36873 1/20 0.50
SLC6A3 Q01959 5/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
SLC6A4 P31645 3/20 0.39

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
SCHEMBL14874330 1.00 PPM1B (0.50) PPM1BPTPN1PPP1CCSLC6A3CYP2C19
SCHEMBL392330 0.90 PPM1B (0.59) PPM1BPTPN1PPP1CCSLC6A3CYP2C19
SCHEMBL4387586 0.90 PPM1B (0.59) PPM1BPTPN1PPP1CCSLC6A3CYP2C19
SCHEMBL392329 0.90 PPM1B (0.59) PPM1BPTPN1PPP1CCSLC6A3CYP2C19
SCHEMBL392595 0.90 PPM1B (0.59) PPM1BPTPN1PPP1CCSLC6A3CYP2C19
SCHEMBL7858102 0.89 ALDH1A1 (0.54) PPM1BPTPN1PPP1CCSLC6A3CYP2C19
SCHEMBL7858097 0.89 ALDH1A1 (0.54) PPM1BPTPN1PPP1CCSLC6A3CYP2C19
SCHEMBL7858104 0.89 ALDH1A1 (0.54) PPM1BPTPN1PPP1CCSLC6A3CYP2C19
SCHEMBL9967119 0.86 PPM1B (0.41) PPM1BPTPN1PPP1CCSLC6A3CYP2C19
SCHEMBL9937926 0.86 PPM1B (0.41) PPM1BPTPN1PPP1CCSLC6A3CYP2C19

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-2771371-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2016-12-07 EP disclosed
EP-2771371-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2014-09-03 EP disclosed
US-20140243489-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2014-08-28 US disclosed
WO-2013057036-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2013-04-25 WO disclosed
EP-2583983-A1 Catalyst component for the polymerization of olefins Basell Poliolefine Italia S.r.l. (IT) 2013-04-24 EP disclosed