SCHEMBL28021082

SCHEMBL28021082

NNC(=O)COc1[c]ccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 2/20 0.47
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 5/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL27997553 0.75 GAA (0.44) ALDH1A1KDM4EPOLBMAPTSMN1; SMN2
SCHEMBL11869391 0.72 OGG1 (0.53) OGG1ALDH1A1KDM4EPOLBMAPT
SCHEMBL22227971 0.72 ALDH1A1 (0.66) OGG1ALDH1A1KDM4EPOLBMAPT
SCHEMBL4211676 0.72 SMN1; SMN2 (0.67) ALDH1A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL30602658 0.72 ALDH1A1 (0.66) OGG1ALDH1A1KDM4EPOLBMAPT
SCHEMBL6204339 0.70 ALDH1A1 (0.49) OGG1ALDH1A1KDM4EPOLBMAPT
SCHEMBL11547674 0.70 ALDH1A1 (0.63) OGG1ALDH1A1KDM4ELMNA
SCHEMBL15518173 0.70 OGG1 (0.62) OGG1ALDH1A1POLBMAPTLMNA
SCHEMBL9722109 0.70 ALDH1A1 (0.72) OGG1ALDH1A1KDM4EMAPTLMNA
SCHEMBL28904035 0.70 ALDH1A1 (0.50) OGG1ALDH1A1MAPTSMN1; SMN2

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
CN-102958914-B 1-phenyl substituted heterocyclic derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD 2015-05-27 CN disclosed