SCHEMBL8608142

SCHEMBL8608142

CC(CN)NC(=O)Cc1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
MIF P14174 1/20 0.38
TYR P14679 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
NFE2L2 Q16236 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
XBP1 P17861 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL8606831 0.85 GAA (0.50) KMT2APOLBALDH1A1LMNACYP2C9
SCHEMBL8608397 0.81 GAA (0.43) KMT2APOLBALDH1A1LMNACYP2C9
SCHEMBL8608144 0.79 HPGD (0.43) CA1CA2
SCHEMBL8608652 0.79 ALDH1A1 (0.39) KMT2APOLBALDH1A1GAAMEN1
SCHEMBL8606900 0.78 HSP90AA1 (0.49) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL8609087 0.78 TRPV1 (0.49) CA1CA2KMT2AGAA
SCHEMBL8608146 0.76 TRPV1 (0.53) CA1CA2KMT2AGAA
SCHEMBL8606954 0.75 CACNA1I (0.37) KMT2APOLBALDH1A1GAAMEN1
SCHEMBL27537155 0.75 GAA (0.35) KMT2APOLBALDH1A1NR1I2LMNA
SCHEMBL8608150 0.75 CA1 (0.44) CA1CA2ALDH1A1NR1I2LMNA

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
US-5847187-A Organic phosphorous compound, a process for producing the same and a use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-12-08 US disclosed