SCHEMBL8428813

SCHEMBL8428813

O=C(O)C=Cc1cccc(CCNC(=O)c2cccc(NC(=O)NCc3ccccc3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.55
SENP1 Q9P0U3 5/20 0.53
SENP2 Q9HC62 1/20 0.53
LMNA P02545 2/20 0.52
NAMPT P43490 1/20 0.52
AKR1C3 P42330 4/20 0.51
AKR1C2 P52895 2/20 0.51
ROCK2 O75116 1/20 0.51
AKR1C4 P17516 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL7494961 0.92 SENP1 (0.62) PKMSENP1SENP2LMNAALDH1A1
SCHEMBL7494957 0.92 SENP1 (0.62) PKMSENP1SENP2LMNAALDH1A1
SCHEMBL8437247 0.89 LMNA (0.50) SENP1SENP2LMNANAMPTROCK2
SCHEMBL8500095 0.83 PPARG (0.59) SENP1LMNANAMPTROCK2ALDH1A1
SCHEMBL8428817 0.82 PKM (0.50) PKMSENP1SENP2LMNANAMPT
SCHEMBL7494303 0.81 SENP1 (0.55) PKMSENP1SENP2LMNANAMPT
SCHEMBL7494300 0.81 SENP1 (0.55) PKMSENP1SENP2LMNANAMPT
SCHEMBL8303238 0.80 AKR1C3 (0.49) PKMLMNAAKR1C3AKR1C2AKR1C4
SCHEMBL8499211 0.79 LMNA (0.54) SENP1LMNANAMPTROCK2ALDH1A1
SCHEMBL7497321 0.78 SENP1 (0.59) PKMSENP1SENP2LMNAAKR1C3

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-0894084-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-02-03 EP disclosed
WO-1997036860-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed