SCHEMBL9728860

SCHEMBL9728860

OC(c1ccccc1)C(NCCNONCCNC(c1ccccc1)C(O)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.50
MAN2A1 Q16706 2/20 0.43
MAN1B1 Q9UKM7 2/20 0.43
MTOR P42345 1/20 0.42
RAB9A P51151 1/20 0.42
GRM7 Q14831 1/20 0.42
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
ADRA2C P18825 2/20 0.38
ADRA1A P35348 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
CHRM2 P08172 1/20 0.38
RGS12 O14924 1/20 0.38
GLA P06280 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL9729227 0.80 AOC3 (0.55) AOC3MAN2A1MAN1B1MTORRAB9A
SCHEMBL9729435 0.79 AOC3 (0.53) AOC3MAN2A1MAN1B1MTORRAB9A
SCHEMBL11879421 0.79 AOC3 (0.58) AOC3MAN2A1MAN1B1MTORRAB9A
SCHEMBL4083083 0.79 AOC3 (0.53) AOC3MAN2A1MAN1B1MTORRAB9A
SCHEMBL9728882 0.78 HPGD (0.49) AOC3MAN2A1MAN1B1CYP3A4ALOX15
SCHEMBL9728901 0.77 ALDH1A1 (0.54) AOC3MAN2A1MAN1B1MTORRAB9A
SCHEMBL9729228 0.76 AOC3 (0.50) AOC3MAN2A1MAN1B1MTORRAB9A
SCHEMBL9729078 0.76 ALDH1A1 (0.47) AOC3MAN2A1MAN1B1RAB9ACYP3A4
SCHEMBL10523671 0.75 AOC3 (0.49) AOC3MAN2A1MAN1B1MTORRAB9A
SCHEMBL9729174 0.75 AOC3 (0.49) AOC3MAN2A1MAN1B1MTORRAB9A

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-5171753-A Derivatives of 2-amino-1-phenylethanol having antiulcer activity A. H. ROBINS COMPANY, INCORPORATED (US) 1992-12-15 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