SCHEMBL9512489

SCHEMBL9512489

CCCCc1ccc(O)c(C(=O)O)c1.[LiH]

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.85
PPARA Q07869 2/20 0.65
LCK P06239 2/20 0.65
KLKB1 P03952 1/20 0.61
CTSB P07858 1/20 0.61
MMP9 P14780 1/20 0.61
DNMT1 P26358 1/20 0.61
DNMT3B Q9UBC3 1/20 0.61
DNMT3L Q9UJW3 1/20 0.61
DNMT3A Q9Y6K1 1/20 0.61
MCL1 Q07820 1/20 0.60
EGFR P00533 1/20 0.56
HNF4A P41235 1/20 0.54
PPARG P37231 1/20 0.52
AKR1C2 P52895 1/20 0.52
AKR1C1 Q04828 1/20 0.52
METAP2 P50579 1/20 0.52
PTPN11 Q06124 1/20 0.52
PTPRO Q16827 1/20 0.52
STAT3 P40763 1/20 0.51

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
SCHEMBL30748696 0.98 KAT8 (0.88) KAT8PPARALCKKLKB1CTSB
SCHEMBL2532041 0.98 KAT8 (0.88) KAT8PPARALCKKLKB1CTSB
SCHEMBL11475640 0.97 KAT8 (0.85) KAT8PPARALCKKLKB1CTSB
SCHEMBL1079224 0.93 KAT8 (0.97) KAT8PPARALCKKLKB1CTSB
SCHEMBL2529442 0.92 KAT8 (1.00) KAT8PPARALCKKLKB1CTSB
SCHEMBL7803836 0.92 KAT8 (1.00) KAT8PPARALCKKLKB1CTSB
SCHEMBL1373683 0.92 KAT8 (1.00) KAT8PPARALCKKLKB1CTSB
SCHEMBL7575009 0.92 KAT8 (1.00) KAT8PPARALCKKLKB1CTSB
SCHEMBL21389644 0.92 KAT8 (1.00) KAT8PPARALCKKLKB1CTSB
SCHEMBL29987416 0.92 KAT8 (1.00) KAT8PPARALCKKLKB1CTSB

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-0429863-B1 Chemiluminescent systems AMERICAN CYANAMID CO (US) 1993-10-27 EP disclosed
EP-0429863-A2 Chemiluminescent systems AMERICAN CYANAMID COMPANY (US) 1991-06-05 EP disclosed