SCHEMBL19984926

SCHEMBL19984926

CN(C)/C(=C\C=C/C=O)C(=O)O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.30

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
SCHEMBL22440259 0.83 ALDH1A1 (0.30)
SCHEMBL25527318 0.71 LMNA (0.30)
SCHEMBL3803320 0.69
SCHEMBL3803319 0.69
Hydrochloric Acid SCHEMBL691453 0.67 ALDH1A1 (0.33)
SCHEMBL3643168 0.67 PTGS1 (0.31) PTGS1
SCHEMBL18992026 0.67 PTGS1 (0.31) PTGS1
SCHEMBL94290 0.67 PTGS1 (0.31) PTGS1
Hydrochloric Acid SCHEMBL691454 0.67 ALDH1A1 (0.33)
SCHEMBL15787131 0.67 PTGS1 (0.31) PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018066532-A1 PHARMACEUTICAL COMPOSITION CONTAINING MORPHINAN DERIVATIVE AND USE THEREOF AS ANALGESIC 学校法人 星薬科大学 2018-04-12 WO disclosed
WO-2018052114-A1 USE OF MORPHINAN DERIVATIVES FOR TREATMENT OF OPIOID δ RECEPTOR AGONIST-RELATED DISEASES 国立大学法人 筑波大学 2018-03-22 WO disclosed