SCHEMBL8607178

SCHEMBL8607178

CC=C(N)NC(=O)c1cc(C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
EGFR P00533 1/20 0.39
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
SYK P43405 1/20 0.38
LMNA P02545 3/20 0.37
RECQL P46063 2/20 0.37
GAA P10253 5/20 0.36
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
TNFRSF1A P19438 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
CA2 P00918 1/20 0.36
POLB P06746 1/20 0.36
TYR P14679 1/20 0.36
GLRA3 O75311 1/20 0.36
GLRB P48167 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
SCHEMBL8608128 0.91 ALOX5 (0.45) EGFRALOX5PTGS1PTGS2SYK
SCHEMBL8606893 0.82 TNFRSF1A (0.40) LMNAGAAALDH1A1TNFRSF1ASMN1; SMN2
SCHEMBL8335744 0.80 GAA (0.50) CYP1A2CYP2C9CYP2C19ALOX5PTGS1
SCHEMBL8608299 0.78 TNFRSF1A (0.46) GAAALDH1A1TNFRSF1ASMN1; SMN2HTT
SCHEMBL8606908 0.78 HSP90AA1 (0.48) CYP2C9LMNAALDH1A1TYRHTT
SCHEMBL30924511 0.78 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19EGFRALOX5
SCHEMBL8608141 0.77 SMN1; SMN2 (0.47) CYP1A2CYP2C9CYP2C19EGFRPTGS1
SCHEMBL8608403 0.77 GAA (0.44) CYP1A2CYP2C9CYP2C19EGFRLMNA
SCHEMBL8605774 0.75 GAA (0.35) CYP1A2CYP2C9CYP2C19EGFRALOX5
SCHEMBL8634581 0.75 GAA (0.58) CYP1A2CYP2C9CYP2C19LMNAGAA

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