SCHEMBL7105901

SCHEMBL7105901

O=C(O)COc1ccccc1C(=O)Nc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.70
PKM P14618 1/20 0.68
MEN1 O00255 7/20 0.67
KMT2A Q03164 7/20 0.67
MAPT P10636 5/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
LMNA P02545 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
ALDH1A1 P00352 4/20 0.65
KDM4E B2RXH2 1/20 0.65
NPSR1 Q6W5P4 3/20 0.63
GAA P10253 1/20 0.61
RAB9A P51151 2/20 0.59
ATM Q13315 1/20 0.59
GPR55 Q9Y2T6 1/20 0.59
GBA1 P04062 1/20 0.58
HTT P42858 1/20 0.58

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
SCHEMBL5504642 0.84 MEN1 (0.83) SGMS2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL28661611 0.83 SGMS2 (0.68) SGMS2PKMMEN1KMT2AMAPT
SCHEMBL875474 0.83 SGMS2 (1.00) SGMS2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5431925 0.82 L3MBTL1 (0.57) SGMS2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9856969 0.81 ALDH1A1 (0.58) SGMS2PKMMEN1KMT2AMAPT
SCHEMBL11243891 0.80 MEN1 (0.50) SGMS2PKMMEN1KMT2AMAPT
SCHEMBL5491897 0.80 LIG1 (0.71) SGMS2PKMMEN1KMT2AMAPT
SCHEMBL4006491 0.80 LMNA (0.64) MAPTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL5049435 0.80 SGMS2 (0.64) SGMS2MEN1KMT2AMAPTLMNA
SCHEMBL17551891 0.79 SGMS2 (0.74) SGMS2

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-1013639-B1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit HOFFMANN LA ROCHE (CH) 2003-10-01 EP disclosed
US-6335459-B1 PROSTAGLANDIN I2 RECEPTOR MODULATORS; TREATING TISSUE NECROSIS, PREMATURE UTERINE CONTRACTION, GASTRIC ULCERATION, SEXUAL DYSFUNCTION, MENSTRUAL PAIN AND IMPROPER WOUND HEALING, IMMUNOREGULATION, PLATELET AGGREGATION OR NEUTROPHIL FUNCTION SYNTEX (U.S.A.) LLC 2002-01-01 US disclosed
EP-1013639-A1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit F. HOFFMANN-LA ROCHE AG (CH) 2000-06-28 EP disclosed