SCHEMBL7320071

SCHEMBL7320071

CC(CC(=O)O)C(=O)c1ccc(-n2ccc(=O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.55
▸ POLB P06746 2/20 0.37
▸ NSD2 O96028 1/20 0.37
▸ GRK2 P25098 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ AOC2 O75106 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ CHRM2 P08172 2/20 0.35
▸ ADRA2B P18089 2/20 0.35

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
SCHEMBL10353455 0.80 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10625333 0.79 CYP3A4 (0.58) KMT2ALMNAMAPTTDP1
SCHEMBL10559260 0.77 CA12 (0.57) KMT2APOLBALDH1A1LMNAMEN1
SCHEMBL8775491 0.74 CHRM2 (0.53) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL7325551 0.74 LMNA (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7316169 0.73 KMT2A (0.69) KMT2APOLBAOC2ALDH1A1MEN1
SCHEMBL135357 0.73 PGR (0.52) KMT2AADRA2BALDH1A1LMNAMMP2
SCHEMBL8823315 0.73 PGR (0.52) KMT2AADRA2BALDH1A1LMNAMMP2
SCHEMBL8381806 0.73 MAPT (0.44) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL7268544 0.73 CES2 (0.43) KMT2AHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0220044-A2 4(4-oxo-1,4-dihydropyridin-1-yl)phenyl derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-04-29 — — EP claimed
US-5246928-A Cardiovascular disorders SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-09-21 — — US disclosed
EP-0260102-B1 CHEMICAL PROCESS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-03-17 — — EP disclosed
US-5066653-A Cardiovascular disorders; bronchodilators; phosphodiesterase inhibitors SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-19 — — US disclosed
US-4906628-A N-phenylpyridone type III phosphodiesterases SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-03-06 — — US disclosed
US-4782159-A Process for preparing beta-methyl-gamma-oxo-4-(4-oxo-1(4H)-pyridinyl) derivative of benzene butanoic acid SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-11-01 — — US disclosed
US-4782159-A Process for preparing beta-methyl-gamma-oxo-4-(4-oxo-1(4H)-pyridinyl) derivative of benzene butanoic acid SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-11-01 — — US disclosed
EP-0260102-A2 Chemical process SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-03-16 — — EP disclosed
EP-0260102-A2 Chemical process SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-03-16 — — EP disclosed
EP-0220044-A2 4(4-oxo-1,4-dihydropyridin-1-yl)phenyl derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-04-29 — — EP disclosed
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