SCHEMBL6650822

SCHEMBL6650822

CCCCc1cc2c(C(=O)O)cccc2c(CCCC)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 6/20 0.45
MCL1 Q07820 6/20 0.45
BCL2L1 Q07817 5/20 0.45
BAK1 Q16611 5/20 0.45
PPARA Q07869 3/20 0.45
KAT8 Q9H7Z6 2/20 0.45
PPARG P37231 2/20 0.45
SAE1 Q9UBE0 2/20 0.45
EP300 Q09472 1/20 0.45
KAT2A Q92830 1/20 0.45
KAT2B Q92831 1/20 0.45
KAT5 Q92993 1/20 0.45
SLC37A4 O43826 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41

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
SCHEMBL6651914 0.89 PTPN1 (0.44) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL6653768 0.81 NR4A1 (0.43) DHODHKDM4EALOX15HSD17B10
SCHEMBL14989157 0.78 GABRP (0.48) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL28149321 0.77 BID (0.50) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL11320748 0.77 DHODH (0.49) BIDMCL1BCL2L1BAK1PPARA
Benzene SCHEMBL9187610 0.76 BID (0.62) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL409185 0.76 BID (0.62) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL169572 0.76 BID (0.50) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL679426 0.76 TSHR (0.49) BIDMCL1BCL2L1BAK1PPARA
Ethylene Glycol SCHEMBL9575452 0.76 BID (0.57) BIDMCL1BCL2L1BAK1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1424414-A1 Manufacturing method of polyester fiber having improved light fastness NAN YA PLASTICS CORPORATION (TW) 2004-06-02 EP disclosed
US-6620362-B1 Copolymerizing diol and naphthalenedicarboxylic acid NAN YA PLASTICS CORPORATION (TW) 2003-09-16 US disclosed