SCHEMBL7447993

SCHEMBL7447993

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.44
MMP3 P08254 2/20 0.43
MMP2 P08253 1/20 0.43
LTA4H P09960 2/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
LNPEP Q9UIQ6 4/20 0.42
ERAP2 Q6P179 1/20 0.42
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
CTSC P53634 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL7435853 0.85 SLC1A1 (0.48) SLC1A1MMP3MMP2LTA4HCA12
SCHEMBL8700502 0.80 CA12 (0.51) SLC1A1MMP3MMP2CA12CA7
SCHEMBL27680894 0.77 KMT2A (0.51) CA12CA7CA9CA14TSHR
SCHEMBL27680893 0.77 KMT2A (0.51) CA12CA7CA9CA14TSHR
SCHEMBL7447989 0.77 LMNA (0.53) CA12CA7CA9CA14TSHR
SCHEMBL4845257 0.76 KMT2A (0.49) METAP2METAP1TSHRALDH1A1
SCHEMBL1859677 0.76 SMN1; SMN2 (0.50) TSHRALDH1A1
SCHEMBL1859940 0.76 GRIK1 (0.51) MMP3MMP2TSHRLMNA
SCHEMBL1841055 0.75 LTA4H (0.53) LTA4HLNPEPERAP2METAP2METAP1
SCHEMBL276649 0.75 LTA4H (0.53) LTA4HLNPEPERAP2METAP2METAP1

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