SCHEMBL7447989

SCHEMBL7447989

COC(=O)CCCNC(=O)CCC(CCc1ccccc1)C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
KDM4E B2RXH2 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
PKM P14618 1/20 0.50
HPGD P15428 2/20 0.49
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 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
SCHEMBL7435848 0.84 CYP2D6 (0.51) LMNAKDM4ECYP2D6CYP2C19KMT2A
SCHEMBL8358014 0.79 L3MBTL1 (0.71) LMNAKDM4EHDAC3HDAC4HDAC1
SCHEMBL7431746 0.79 LMNA (0.62) LMNAKDM4EHDAC3HDAC4HDAC1
SCHEMBL1232716 0.78 L3MBTL1 (0.69) LMNAKDM4EHDAC3HDAC4HDAC1
SCHEMBL1231469 0.78 LMNA (0.70) LMNAKDM4EHDAC3HDAC4HDAC1
SCHEMBL15560138 0.78 HDAC3 (0.70) LMNAKDM4EHDAC3HDAC4HDAC1
SCHEMBL1859940 0.78 GRIK1 (0.51) LMNACYP2D6CYP2C19TSHRKMT2A
SCHEMBL1231698 0.77 LMNA (0.68) LMNAKDM4EHDAC3HDAC1HDAC2
SCHEMBL1233076 0.77 LMNA (0.63) LMNAKDM4EHDAC3HDAC4HDAC1
SCHEMBL7447993 0.77 SLC1A1 (0.44) LMNAKDM4ETSHRALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5096925-A N-substituted butyramide derivatives CIBA-GEIGY CORPORATION (US) 1992-03-17 US disclosed
US-4939261-A ANALGESICS, ANTIDEPRESSANTS, HYPOTENSIVE AGENTS, NEUROLEPTIC AGENTS CIBA-GEIGY CORPORATION (US) 1990-07-03 US disclosed
EP-0185079-B1 N-SUBSTITUTED BUTYRAMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1988-10-19 EP disclosed
EP-0185079-A1 CIBA GEIGY AG 1986-06-25 EP disclosed
WO-1986000066-A1 N-SUBSTITUTED BUTYRAMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1986-01-03 WO disclosed