SCHEMBL8897263

SCHEMBL8897263

CC(C)[C@H](N)C(=O)N(Cc1cccnc1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
RIPK1 Q13546 1/20 0.44
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
SLC1A5 Q15758 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
ADAMTS4 O75173 1/20 0.39
RECQL P46063 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TBXAS1 P24557 2/20 0.37
GRM2 Q14416 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
NAPRT Q6XQN6 1/20 0.36

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
SCHEMBL10423913 0.86 AKT1 (0.42) LMNACHRNB2CHRNA4ALDH1A1
SCHEMBL7332333 0.78 RIPK1 (0.51) LMNARIPK1CHRNB2CHRNA4CYP3A4
SCHEMBL5890773 0.76 RIPK1 (0.63) LMNARIPK1CHRNB2CHRNA4CYP3A4
SCHEMBL10424675 0.76 L3MBTL1 (0.40)
SCHEMBL5784249 0.75 KDM4E (0.46) LMNARIPK1CHRNB2CHRNA4CYP3A4
SCHEMBL7324763 0.72 SSTR4 (0.52) LMNARIPK1CHRNB2CHRNA4CYP3A4
SCHEMBL27875045 0.72 KMT2A (0.48) LMNARIPK1CHRNB2CHRNA4CYP3A4
SCHEMBL1737432 0.71 AKT1 (0.42) LMNARIPK1CHRNB2CHRNA4ALDH1A1
SCHEMBL13947717 0.71 CHRNA7 (0.54) LMNARIPK1CHRNB2CHRNA4TBXAS1
SCHEMBL20162475 0.71 LTA4H (0.44) LMNASLC1A5CYP3A4CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587110-B1 Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-12-17 EP disclosed