SCHEMBL5595960

SCHEMBL5595960

CC(C)(P)C(c1c(O)ccc2ccccc12)c1c(O)ccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 2/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
POLB P06746 2/20 0.43
CYP1A2 P05177 2/20 0.42
USP2 O75604 1/20 0.42
PAK1 Q13153 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 3/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ERN1 O75460 1/20 0.40
AHR P35869 1/20 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
SCHEMBL5596324 0.76 RCE1 (0.47) MEN1KMT2AALDH1A1PTPN22CYP1A2
SCHEMBL682421 0.76 KMT2A (0.55) MEN1KMT2AKDM4EALDH1A1PTPN22
SCHEMBL5596852 0.76 PTPN22 (0.54) MEN1KMT2AKDM4EALDH1A1PTPN22
SCHEMBL5209921 0.76 KMT2A (0.55) MEN1KMT2AKDM4EALDH1A1PTPN22
SCHEMBL29625689 0.76 KMT2A (0.55) MEN1KMT2AKDM4EALDH1A1PTPN22
SCHEMBL29946518 0.74 PTPN22 (0.57) MEN1KMT2AKDM4EALDH1A1PTPN22
Hydrochloric Acid SCHEMBL30186239 0.74 PTPN22 (0.57) MEN1KMT2AKDM4EALDH1A1PTPN22
SCHEMBL26370800 0.74 PTPN22 (0.56) MEN1KMT2AKDM4EALDH1A1PTPN22
SCHEMBL24404057 0.73 KMT2A (0.53) MEN1KMT2AKDM4EALDH1A1PTPN22
SCHEMBL5596944 0.73 PTPN22 (0.50) MEN1KMT2AKDM4EALDH1A1PTPN22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279537-B2 Transition metal complexes and polymerization catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-09 US disclosed
US-20060229195-A1 Transition metal complexes and polymerization catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-12 US disclosed
EP-1557423-A1 TRANSITION METAL COMPLEXES AND POLYMERIZATION CATALYSTS Sumitomo Chemical Company, Limited (JP) 2005-07-27 EP disclosed