SCHEMBL9729174

SCHEMBL9729174

OCCCCCNC(c1ccccc1)C(O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.49
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 1/20 0.47
RRM1 P23921 1/20 0.43
MAN2A1 Q16706 2/20 0.43
MAN1B1 Q9UKM7 2/20 0.43
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
CNR1 P21554 1/20 0.39
KCNH3 Q9ULD8 1/20 0.39
KDM1A O60341 3/20 0.38
NAAA Q02083 2/20 0.38
MAOB P27338 2/20 0.38
MTOR P42345 1/20 0.37
RAB9A P51151 1/20 0.37
GRM7 Q14831 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL10523671 1.00 AOC3 (0.49) AOC3ALDH1A1HSD17B10LMNARRM1
SCHEMBL9729228 0.98 AOC3 (0.50) AOC3ALDH1A1HSD17B10LMNARRM1
SCHEMBL9728901 0.93 ALDH1A1 (0.54) AOC3ALDH1A1HSD17B10LMNAMAN2A1
SCHEMBL9729227 0.86 AOC3 (0.55) AOC3ALDH1A1HSD17B10LMNAMAN2A1
SCHEMBL9729075 0.80 AOC3 (0.41) AOC3ALDH1A1LMNARRM1RAB9A
SCHEMBL9729159 0.80 AOC3 (0.41) AOC3ALDH1A1LMNARRM1RAB9A
SCHEMBL11587489 0.79 ALDH1A1 (0.72) ALDH1A1HSD17B10LMNARRM1GRIN1
SCHEMBL9729035 0.78 AOC3 (0.42) AOC3ALDH1A1RRM1RAB9ACHRM2
SCHEMBL9729241 0.78 AOC3 (0.46) AOC3ALDH1A1HSD17B10LMNAMAN2A1
SCHEMBL9729435 0.77 AOC3 (0.53) AOC3ALDH1A1HSD17B10LMNAMAN2A1

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