SCHEMBL8613504

SCHEMBL8613504

CC(C)(Cc1ccccc1)N[O]

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
ALDH1A1 P00352 1/20 0.53
SLC6A2 P23975 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
TRPA1 O75762 1/20 0.42
MMP8 P22894 4/20 0.42
CYP1A2 P05177 2/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
MAPK1 P28482 1/20 0.41
FDPS P14324 1/20 0.41

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
Mephentermine SCHEMBL121178 0.79 LMNA (1.00) LMNACYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL5397874 0.77 CYP2D6 (0.65) LMNACYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL5255109 0.77 LMNA (0.59) LMNACYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL5948337 0.77 CYP3A4 (0.67) LMNACYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL5376593 0.77 LMNA (0.64) LMNACYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL165251 0.77 LMNA (0.59) LMNACYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL14161468 0.76 LMNA (0.63) LMNACYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL11818840 0.76 LMNA (0.63) LMNACYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL6335183 0.75 LMNA (0.57) LMNACYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL2444854 0.75 LMNA (0.57) LMNACYP2D6CYP3A4CYP2C9CYP2C19

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
US-5783646-A SUBJECTING IT AND RADICAL SCAVENGER TO THERMAL POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-21 US claimed
US-5783646-A SUBJECTING IT AND RADICAL SCAVENGER TO THERMAL POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-21 US disclosed