SCHEMBL11453081

SCHEMBL11453081

CCOC(=O)/C(C)=C(/N)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
ALDH1A1 P00352 5/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GLO1 Q04760 1/20 0.45
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.39
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
TRPA1 O75762 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL11453082 1.00 ALOX15 (0.50) ALOX15ALDH1A1LMNAHSD17B10GLO1
SCHEMBL11445944 0.86 ALOX15 (0.46) ALOX15ALDH1A1LMNAHSD17B10GLO1
SCHEMBL11445943 0.86 ALOX15 (0.46) ALOX15ALDH1A1LMNAHSD17B10GLO1
SCHEMBL8616862 0.83 ALOX15 (0.52) ALOX15ALDH1A1LMNAHSD17B10GLO1
SCHEMBL11463924 0.83 ALOX15 (0.52) ALOX15ALDH1A1LMNAHSD17B10GLO1
SCHEMBL1144348 0.83 ALOX15 (0.52) ALOX15ALDH1A1LMNAHSD17B10GLO1
SCHEMBL11463923 0.83 ALOX15 (0.52) ALOX15ALDH1A1LMNAHSD17B10GLO1
SCHEMBL1144352 0.83 ALOX15 (0.52) ALOX15ALDH1A1LMNAHSD17B10GLO1
SCHEMBL5611940 0.82 ALDH1A1 (0.58) ALOX15ALDH1A1LMNAHSD17B10GLO1
SCHEMBL5611950 0.82 ALDH1A1 (0.58) ALOX15ALDH1A1LMNAHSD17B10GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE30420-E DIURETIC, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1980-10-21 US disclosed
US-4112227-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-05 US disclosed
US-4081596-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1978-03-28 US disclosed
US-4056533-A HYPOTENSIVE AGENTS, ANTICOAGULANTS, DIURETICS BAYER AKTIENGESELLSCHAFT (DT) 1977-11-01 US disclosed
US-4032646-A DIURETICS, SALURETICS, HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-06-28 US disclosed
US-4005215-A DIURETIC BAYER AKTIENGESELLSCHAFT (DT) 1977-01-25 US disclosed
US-4000294-A DIURESIS OR SALURESIS BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US disclosed
US-3992404-A DIURETICS, SALURETICS, ANTIHYPERTENSIVE AGENTS, AND ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-16 US disclosed
US-3978077-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (GB) 1976-08-31 US disclosed
US-3957814-A DIURETICS, SALURETICS, HYPOTENSIVE AGENTS, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-05-18 US disclosed
US-3952008-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3949083-A DIURETICS, SALURETICS, HYPERTENSION BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US disclosed