SCHEMBL9729333

SCHEMBL9729333

Cc1ccc(C(O)C(NCCCO)c2ccc(C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.41
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 1/20 0.41
CHRNA7 P36544 1/20 0.37
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
OPRM1 P35372 3/20 0.35
HIF1A Q16665 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP2D6 P10635 2/20 0.35
ADRA1A P35348 2/20 0.35
SLC6A3 Q01959 2/20 0.35
ADRB3 P13945 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
MEN1 O00255 1/20 0.35
XBP1 P17861 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ABCB11 O95342 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL9728886 0.90 CHRNA7 (0.35) LMNAALDH1A1CHRNA7SLC6A2SLC6A4
SCHEMBL9728901 0.83 ALDH1A1 (0.54) LMNAALDH1A1HSD17B10SLC6A2SLC6A4
SCHEMBL9729725 0.83 AOC3 (0.43) LMNAALDH1A1HSD17B10SIGMAR1ABCB11
SCHEMBL9729035 0.78 AOC3 (0.42) ALDH1A1SIGMAR1CHRM2AOC3CNR2
SCHEMBL9729228 0.78 AOC3 (0.50) LMNAALDH1A1HSD17B10SLC6A2SLC6A4
SCHEMBL9729159 0.77 AOC3 (0.41) LMNAALDH1A1SLC6A2SLC6A4OPRM1
SCHEMBL9729075 0.77 AOC3 (0.41) LMNAALDH1A1SLC6A2SLC6A4OPRM1
SCHEMBL9729174 0.77 AOC3 (0.49) LMNAALDH1A1HSD17B10CYP2D6ADRA1A
SCHEMBL10523671 0.77 AOC3 (0.49) LMNAALDH1A1HSD17B10CYP2D6ADRA1A
SCHEMBL9729965 0.72 AKT1 (0.43) ALDH1A1SLC6A2SLC6A4CYP2D6SLC6A3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4803200-A SHIPPING FEVER SYNDROME A. H. ROBINS COMPANY, INCORPORATED (US) 1989-02-07 US claimed
US-5171753-A Derivatives of 2-amino-1-phenylethanol having antiulcer activity A. H. ROBINS COMPANY, INCORPORATED (US) 1992-12-15 US disclosed
US-4803200-A SHIPPING FEVER SYNDROME A. H. ROBINS COMPANY, INCORPORATED (US) 1989-02-07 US disclosed