SCHEMBL6729110

SCHEMBL6729110

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.52
HCAR2 Q8TDS4 1/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GLO1 Q04760 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 3/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
CYP2C9 P11712 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 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
SCHEMBL11720034 1.00 NPSR1 (0.52) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL11720162 0.81 NPSR1 (0.50) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL11720173 0.81 NPSR1 (0.50) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL1478387 0.80 NPSR1 (0.46) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL1478383 0.80 NPSR1 (0.46) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL1478063 0.78 NPSR1 (0.47) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL1478062 0.78 NPSR1 (0.47) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL11548836 0.77 NPSR1 (0.50) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL11555877 0.77 NPSR1 (0.50) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL11548834 0.77 NPSR1 (0.50) NPSR1HCAR2ALDH1A1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040261198-A1 Restructuring and finishing of keratin fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2004-12-30 US claimed
US-20040261198-A1 Restructuring and finishing of keratin fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2004-12-30 US disclosed
EP-0503958-B1 Heterocyclic compounds and their production NIPPON PAINT CO LTD (JP) 1998-09-23 EP disclosed
US-4182877-A ONE STEP CYCLIZATION OF UNSATURATED AMINO ACID, PHOSPHORUS OXYCHLORIDE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1980-01-08 US disclosed
US-4027037-A ARTHROPOD METAMORPHOSIS INHIBITORS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 US disclosed