SCHEMBL8994851

SCHEMBL8994851

CCC(C)(C(=O)O)C(=O)c1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.52
CA2 P00918 6/20 0.52
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47
APEX1 P27695 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GSK3B P49841 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46

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
SCHEMBL6613084 0.81 CES2 (0.53) CA1CA2CES2CES1ALDH1A1
SCHEMBL2290988 0.81 ALDH1A1 (0.47) CA2CES2CES1ALDH1A1LMNA
SCHEMBL4808857 0.80 CES1 (0.47) CES2CES1ALDH1A1LMNAALOX15
SCHEMBL8214255 0.80 CA12 (0.56) CA1CA2ALDH1A1MAPK1HDAC3
SCHEMBL7633456 0.78 MAPT (0.53) ALDH1A1LMNAGSK3BHDAC3HDAC1
SCHEMBL6254562 0.77 CES2 (0.53) CA1CA2CES2CES1ALDH1A1
SCHEMBL3823617 0.77 CA1 (0.61) CA1CA2CES2CES1LMNA
SCHEMBL1009355 0.77 CA1 (0.61) CA1CA2CES2CES1LMNA
SCHEMBL249566 0.77 CA1 (0.61) CA1CA2CES2CES1LMNA
SCHEMBL1009824 0.77 CA1 (0.61) CA1CA2CES2CES1LMNA

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-0727151-A2 Ingestibles containing substantially tasteless sweetness inhibitors as bitter taste reducers or substantially tasteless bitter inhibitors as sweet taste reducers BIORESEARCH, INC. (US) 1996-08-21 EP claimed
EP-0485587-A4 INGESTIBLES CONTAINING SUBSTANTIALLY TASTELESS SWEETNESS INHIBITORS AS BITTER TASTE REDUCERS OR SUBSTANTIALLY TASTELESS BITTER INHIBITORS AS SWEET TASTE REDUCERS 1992-12-02 EP claimed
EP-0485587-A1 INGESTIBLES CONTAINING SUBSTANTIALLY TASTELESS SWEETNESS INHIBITORS AS BITTER TASTE REDUCERS OR SUBSTANTIALLY TASTELESS BITTER INHIBITORS AS SWEET TASTE REDUCERS. BIORESEARCH INC (US) 1992-05-20 EP claimed