SCHEMBL7070679

SCHEMBL7070679

CC(=O)NCC=Cc1ccc(C(O)Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.48
MTNR1B P49286 4/20 0.48
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
BACE1 P56817 2/20 0.40
MAOB P27338 1/20 0.40
CTRB1 P17538 4/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
SMO Q99835 1/20 0.39

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
SCHEMBL7070676 1.00 MTNR1A (0.48) MTNR1AMTNR1BLMNAPKMHTT
SCHEMBL8261373 0.81 MAOB (0.57) MTNR1AMTNR1BMAOBPPARG
SCHEMBL5152333 0.81 MAOB (0.57) MTNR1AMTNR1BMAOBPPARG
SCHEMBL7070509 0.77 MAPT (0.48) MTNR1AMTNR1BLMNAMAOB
SCHEMBL7070513 0.77 MAPT (0.48) MTNR1AMTNR1BLMNAMAOB
SCHEMBL7070372 0.76 SRR (0.40) PKMPPARGPPARA
SCHEMBL7070367 0.76 SRR (0.40) PKMPPARGPPARA
Hydrochloric Acid SCHEMBL7070234 0.74 PPARG (0.45) HTTPPARGPPARA
Hydrochloric Acid SCHEMBL7070231 0.74 PPARG (0.45) HTTPPARGPPARA
SCHEMBL9318626 0.72 MAPT (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142865-B1 NOVEL 1,2-DIPHENYL-2-PROPEN-1-ONE DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2003-06-18 EP disclosed
US-6395932-B1 AMINOALKYL-1,2-DIPHENYL-2-PROPEN-1-ONE WHICH LOWER INTRAOCULAR PRESSURE BY CAUSING MORPHOLOGICAL CHANGE IN TRABECULAR MESHWORK CELLS. SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-05-28 US disclosed
EP-1142865-A1 NOVEL 1,2-DIPHENYL-2-PROPEN-1-ONE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed