SCHEMBL8608403

SCHEMBL8608403

CC=C(N)NC(=O)Cc1cc(C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.44
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 5/20 0.38
TSHR P16473 3/20 0.38
MEN1 O00255 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 2/20 0.38
BLM P54132 2/20 0.38
ATM Q13315 2/20 0.38
HIF1A Q16665 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
USP2 O75604 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
AGTR1 P30556 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
SCHEMBL8606843 0.92 GAA (0.51) GAACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8634581 0.87 GAA (0.58) GAACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8606961 0.84 ALDH1A1 (0.35) GAAKMT2AALDH1A1TSHRMEN1
SCHEMBL9556746 0.82 CYP1A2 (0.49) GAACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8608659 0.80 TNFRSF1A (0.38) GAAKMT2AALDH1A1MEN1MAPK1
SCHEMBL8608150 0.80 CA1 (0.44) GAACYP2C9ALDH1A1ATMLMNA
SCHEMBL14791819 0.80 CYP1A2 (0.50) GAACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8606896 0.78 GAA (0.68) GAACYP1A2KMT2AALDH1A1TSHR
SCHEMBL8606077 0.77 GAA (0.48) GAACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL6709404 0.77 GAA (0.53) GAACYP1A2CYP2C9CYP2C19KMT2A

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