SCHEMBL4582304

SCHEMBL4582304

CC(C)CCCCCCc1c(Cc2ccccc2)ccc(C(=O)O)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.40
LDHB P07195 3/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
BID P55957 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
BAK1 Q16611 1/20 0.39
LTB4R Q15722 3/20 0.38
PTPN1 P18031 3/20 0.37
PTPN2 P17706 1/20 0.37
PTPN6 P29350 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SLC16A3 O15427 1/20 0.36
TSHR P16473 1/20 0.36
HNF4A P41235 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MMP9 P14780 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
SCHEMBL4582211 1.00 LDHA (0.40) LDHALDHBLMNAPKMBID
SCHEMBL8965769 0.93 LDHA (0.40) LDHALDHBBIDBCL2L1MCL1
SCHEMBL203614 0.90 BID (0.41) LDHALDHBLMNAPKMBID
SCHEMBL6050566 0.90 BID (0.41) LDHALDHBLMNAPKMBID
SCHEMBL29620154 0.87 BID (0.38) BIDBCL2L1MCL1BAK1LTB4R
SCHEMBL37130 0.87 BID (0.38) BIDBCL2L1MCL1BAK1LTB4R
SCHEMBL23670 0.87 BID (0.38) BIDBCL2L1MCL1BAK1LTB4R
SCHEMBL479330 0.87 BID (0.38) BIDBCL2L1MCL1BAK1LTB4R
SCHEMBL721825 0.87 BID (0.38) BIDBCL2L1MCL1BAK1LTB4R
SCHEMBL10818422 0.87 BID (0.38) BIDBCL2L1MCL1BAK1LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1983024-A1 Material mixture based on alkylbenzyl esters Lanxess Deutschland GmbH (DE) 2008-10-22 EP disclosed
EP-1873198-A1 Mixtures of alkyl esters and benzyl esters of polycarboxylic acids Lanxess Deutschland GmbH (DE) 2008-01-02 EP disclosed
EP-1672014-B1 Ester mixtures LANXESS DEUTSCHLAND GMBH (DE) 2007-08-22 EP disclosed
EP-1757655-A2 Thermoplastic polyuréthanes Lanxess Deutschland GmbH (DE) 2007-02-28 EP disclosed
EP-1672013-A1 Ester mixtures Lanxess Deutschland GmbH (DE) 2006-06-21 EP disclosed
EP-1672014-A1 Ester mixtures Lanxess Deutschland GmbH (DE) 2006-06-21 EP disclosed