SCHEMBL21669167

SCHEMBL21669167

CCOC(=O)c1ccc(N2CCC(OC)C2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.48
ALDH1A1 P00352 2/20 0.46
PRMT1 Q99873 1/20 0.44
TSHR P16473 1/20 0.43
ACACB O00763 3/20 0.43
WDR5 P61964 1/20 0.42
TP53 P04637 1/20 0.41
SRD5A1 P18405 1/20 0.41
SRD5A2 P31213 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NOTUM Q6P988 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL21669164 1.00 P2RY12 (0.48) P2RY12ALDH1A1PRMT1TSHRACACB
SCHEMBL21668775 0.87 MAPT (0.53) ALDH1A1TSHRACACBMAPTLMNA
SCHEMBL23965738 0.87 MAPT (0.53) ALDH1A1TSHRACACBMAPTLMNA
SCHEMBL21669166 0.86 P2RY12 (0.49) P2RY12ALDH1A1PRMT1TSHRWDR5
SCHEMBL30398184 0.84 NOTUM (0.48) TSHRACACBLIPGNOTUM
SCHEMBL21638135 0.84 NOTUM (0.48) TSHRACACBLIPGNOTUM
SCHEMBL21638137 0.84 NOTUM (0.48) TSHRACACBLIPGNOTUM
SCHEMBL23839398 0.82 HTT (0.50) ALDH1A1ACACBMAPTLMNACA12
SCHEMBL23839396 0.82 HTT (0.50) ALDH1A1ACACBMAPTLMNACA12
SCHEMBL31467861 0.81 P2RY12 (0.52) P2RY12ALDH1A1PRMT1TSHRWDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3604301-A1 4-PYRIDONE COMPOUND OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION AND FORMULATION INCLUDING SAME FUJIFILM Corporation (JP) 2020-02-05 EP disclosed