SCHEMBL6979650

SCHEMBL6979650

O=C(NC(C(=O)O)C(=O)O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.65
ATM Q13315 2/20 0.56
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CTSK P43235 3/20 0.54
TACR1 P25103 2/20 0.54
SYK P43405 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 3/20 0.52
CTSL P07711 2/20 0.52
CTSS P25774 2/20 0.52
ELANE P08246 1/20 0.52
CTSB P07858 1/20 0.52
CYP1A2 P05177 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL10612691 0.93 CTRB1 (0.61) CTRB1ATMLMNASMN1; SMN2CTSK
SCHEMBL18334515 0.90 CTRB1 (0.58) CTRB1ATMCTSKSYKALDH1A1
SCHEMBL9192816 0.90 CTRB1 (0.58) CTRB1ATMCTSKSYKALDH1A1
SCHEMBL10873730 0.90 CTRB1 (0.58) CTRB1ATMLMNASMN1; SMN2CTSK
SCHEMBL10787497 0.89 CTRB1 (0.60) CTRB1ATMLMNASMN1; SMN2CTSK
SCHEMBL8561874 0.88 CTRB1 (0.56) CTRB1ATMCTSKSYKCTSL
SCHEMBL13261114 0.88 CTRB1 (0.56) CTRB1ATMLMNASMN1; SMN2CTSK
SCHEMBL11548100 0.86 CTRB1 (0.57) CTRB1ATMLMNASMN1; SMN2CTSK
SCHEMBL6806275 0.86 ALDH1A1 (0.59) CTRB1ATMCTSKCA12CA1
SCHEMBL20529450 0.86 CTRB1 (0.60) CTRB1ATMLMNASMN1; SMN2CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133491-B1 NOVEL BENZOFURANE DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2003-02-19 EP disclosed
US-6500815-B1 BONE DISORDERS AVENTIS PHARMA S.A. (FR) 2002-12-31 US disclosed
EP-1157028-B1 NOVEL SUBSTITUTED 11.BETA STEROID DERIVATIVES, METHOD FOR PREPARING SAME AND INTERMEDIATES OF SAID METHOD, USE AS MEDICINE AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA SA (FR) 2002-09-04 EP disclosed
EP-1157028-A1 NOVEL SUBSTITUTED 11.BETA STEROID DERIVATIVES, METHOD FOR PREPARING SAME AND INTERMEDIATES OF SAID METHOD, USE AS MEDICINE AND COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 2001-11-28 EP disclosed
EP-1133491-A1 NOVEL BENZOFURANE DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2001-09-19 EP disclosed
WO-2000050441-A1 NOVEL SUBSTITUTED 11.BETA STEROID DERIVATIVES, METHOD FOR PREPARING SAME AND INTERMEDIATES OF SAID METHOD, USE AS MEDICINE AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-08-31 WO disclosed
WO-2000031070-A1 NOVEL BENZOFURANE DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2000-06-02 WO disclosed
US-5686449-A 1,5-benzodiazepines useful as gastrinor CCK-antagonists GLAXO WELLCOME S.P.A. (IT) 1997-11-11 US disclosed
EP-0195047-A4 AMINOMALONYL ALANINE COMPOUNDS AND USE AS DIETARY SWEETENERS. RES TRIANGLE INST (US) 1988-05-31 EP disclosed
US-4714619-A STABLE IN AQUEOUS SOLUTION RESEARCH TRIANGLE INSTITUTE (US) 1987-12-22 US disclosed
EP-0199258-A2 L-Aminodicarboxylic acid amides and an edible composition containing same GENERAL FOODS CORPORATION (US) 1986-10-29 EP disclosed
EP-0195047-A1 AMINOMALONYL ALANINE COMPOUNDS AND USE AS DIETARY SWEETENERS RESEARCH TRIANGLE INSTITUTE (US) 1986-09-24 EP disclosed
US-4587245-A Method of treating neuropsychic disturbances by benzodiazepine derivatives and composition therefor SANOFI (FR) 1986-05-06 US disclosed
WO-1986001690-A1 AMINOMALONYL ALANINE COMPOUNDS AND USE AS DIETARY SWEETENERS RESEARCH TRIANGLE INSTITUTE (US) 1986-03-27 WO disclosed
US-4564528-A Aminomalonyl alanine compounds and use as dietary sweeteners RESEARCH TRIANGLE INSTITUTE (US) 1986-01-14 US disclosed