SCHEMBL27324930

SCHEMBL27324930

CNC(C)(O)CC(NC)(NC)c1cc(Br)ccc1S

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL8565968 0.73 PTGDR2 (0.36) PTGDR2
SCHEMBL8563905 0.70 PTGDR2 (0.33) PTGDR2
SCHEMBL27309373 0.67 CYP3A4 (0.40) —
SCHEMBL9006930 0.64 PTGDR2 (0.33) PTGDR2
SCHEMBL30978728 0.64 KDM1A (0.47) —
SCHEMBL30978721 0.64 KDM1A (0.47) —
SCHEMBL695877 0.64 KDM1A (0.47) —
SCHEMBL8576899 0.62 KDM1A (0.34) —
SCHEMBL7847441 0.60 PTGDR2 (0.40) PTGDR2
SCHEMBL381986 0.59 PTGDR2 (0.41) PTGDR2

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
CN-1028174-C Process and intermediates for preparing compounds having disubstituted acetylene moiety and retinoic acid-like biological activity ALLERGAN INC (US) 1995-04-12 — — CN disclosed
CN-1050385-A Preparation has bioactive method and the intermediate that has the compound of disubstituted acetylene moiety of retinoic acid-like ALLERGAN INC (US) 1991-04-03 — — CN disclosed
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