SCHEMBL3129286

SCHEMBL3129286

CC(O)Cc1cc2ccccc2c(C(=O)O)c1CC(C)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
GLA P06280 2/20 0.51
HPGD P15428 2/20 0.51
CYP1A2 P05177 2/20 0.51
MEN1 O00255 2/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ME2 P23368 1/20 0.48
ME1 P48163 1/20 0.48
ME3 Q16798 1/20 0.48
GPR35 Q9HC97 2/20 0.39
POLB P06746 2/20 0.39
DHODH Q02127 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL8769587 0.87 ALDH1A1 (0.53) KMT2AKDM4EALDH1A1GLAHPGD
SCHEMBL3129282 0.80 HSD17B10 (0.40) KMT2AALDH1A1HPGDMEN1HSD17B10
SCHEMBL1079661 0.77 MEN1 (0.59) KMT2AKDM4EALDH1A1GLAHPGD
SCHEMBL27928255 0.77 CTNNB1 (0.43) KMT2AKDM4EALDH1A1GLAHPGD
SCHEMBL2270616 0.76 ALDH1A1 (0.43) KMT2AKDM4EALDH1A1GLAHPGD
SCHEMBL2396477 0.74 HTR2A (0.50) KMT2AKDM4EALDH1A1GLAHPGD
SCHEMBL28910842 0.74 ALDH1A1 (0.51) KMT2AKDM4EALDH1A1GLAHPGD
SCHEMBL3129275 0.74 DHODH (0.38) KMT2AKDM4EALDH1A1GLAHPGD
SCHEMBL897604 0.73 MEN1 (0.63) KMT2AKDM4EALDH1A1GLAHPGD
SCHEMBL6910716 0.73 PTGER1 (0.42) KMT2AKDM4EALDH1A1GLAHPGD

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
EP-1801159-B1 A polytrimethylene naphthalate and method of making the same FUTURA POLYESTERS LTD (IN) 2010-07-21 EP disclosed
US-20070149756-A1 Compositions and methods of manufacturing polytrimethylene naphthalate FUTURA POLYESTERS LIMITED 2007-06-28 US disclosed
EP-1801159-A1 A polytrimethylene naphthalate and method of making the same Futura Polyesters Limited (IN) 2007-06-27 EP disclosed