SCHEMBL6947577

SCHEMBL6947577

CC(=O)Nc1cc(OC(C)=O)ccc1OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.67
CYP19A1 P11511 1/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
PKM P14618 1/20 0.53
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PTPN1 P18031 1/20 0.48
TNF P01375 1/20 0.47
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
GAA P10253 2/20 0.47
MGAT2 Q10469 1/20 0.47

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
SCHEMBL9652330 0.84 ALDH1A1 (0.51) BRD4KDM4EALDH1A1PKMMTNR1A
SCHEMBL3287743 0.84 NPC1 (0.52) BRD4CYP19A1KDM4EALDH1A1PKM
SCHEMBL6948195 0.84 BRD4 (0.74) BRD4CYP19A1KDM4EMEN1KMT2A
SCHEMBL3997171 0.83 BRD4 (0.60) BRD4CYP19A1KDM4EALDH1A1MTNR1A
SCHEMBL6702501 0.82 PTPN1 (0.57) BRD4KDM4EALDH1A1PKMMTNR1A
SCHEMBL3290045 0.82 PTGDR2 (0.53) BRD4CYP19A1ALDH1A1MTNR1AMTNR1B
SCHEMBL7649327 0.82 BRD4 (0.70) BRD4CYP19A1KDM4EMEN1KMT2A
SCHEMBL10659617 0.82 BRD4 (0.70) BRD4CYP19A1KDM4EMEN1KMT2A
SCHEMBL7646955 0.82 BRD4 (0.74) BRD4CYP19A1KDM4EMEN1KMT2A
SCHEMBL9432998 0.81 BRD4 (0.59) BRD4CYP19A1KDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6649627-B1 N-Substituted with 1- (pyrid-2-yl)-piperidine-4-yl radical; gastrointestinal and psychological disorder treatment; antidiabetic tocolytic, and antidepressant agents; irritable bowel syndrome, glaucoma and dysmenorrhoea SANOFI-SYNTHELABO (FR) 2003-11-18 US disclosed
EP-1087961-B1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI SYNTHELABO (FR) 2002-08-14 EP disclosed
EP-1087961-A1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 2001-04-04 EP disclosed
WO-1999065895-A1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 1999-12-23 WO disclosed