SCHEMBL10691979

SCHEMBL10691979

COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OCCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
ALDH1A1 P00352 2/20 0.61
AGTR1 P30556 2/20 0.61
RAB9A P51151 1/20 0.59
HSD17B10 Q99714 2/20 0.54
HIF1A Q16665 4/20 0.49
CYP1A2 P05177 3/20 0.49
CYP3A4 P08684 3/20 0.49
MAPT P10636 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP2D6 P10635 2/20 0.49
TSHR P16473 2/20 0.49
NFKB1 P19838 2/20 0.49
MAPK1 P28482 2/20 0.49
THPO P40225 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ABCC4 O15439 1/20 0.49

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
SCHEMBL10691974 0.84 HSD17B10 (0.54) LMNAALDH1A1AGTR1RAB9AHSD17B10
SCHEMBL10692954 0.82 ADORA3 (0.53) LMNAALDH1A1AGTR1HSD17B10HIF1A
SCHEMBL7350843 0.81 MAPT (0.70) LMNARAB9AHIF1ACYP1A2CYP3A4
SCHEMBL10918103 0.81 MAPT (0.70) LMNARAB9AHIF1ACYP1A2CYP3A4
SCHEMBL10567349 0.81 ADORA3 (0.52) LMNAALDH1A1AGTR1HSD17B10HIF1A
SCHEMBL9689854 0.79 HSD17B10 (0.50) LMNAALDH1A1AGTR1HSD17B10HIF1A
SCHEMBL7346372 0.79 HSD17B10 (0.62) LMNAALDH1A1AGTR1HSD17B10HIF1A
SCHEMBL7347242 0.79 ADORA3 (0.69) LMNAALDH1A1AGTR1HSD17B10HIF1A
SCHEMBL7279871 0.78 MAPT (0.66) LMNAHIF1ACYP1A2CYP3A4MAPT
SCHEMBL10742637 0.78 MAPT (0.69) LMNAHIF1ACYP1A2CYP3A4MAPT

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-4727082-A CARDIOVASCULAR DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1988-02-23 US disclosed