SCHEMBL7429100

SCHEMBL7429100

O=C(O)CC(Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
CPB1 P15086 1/20 0.57
CPA3 P15088 1/20 0.57
CPB2 Q96IY4 1/20 0.57
CTNNB1 P35222 1/20 0.56
HRH4 Q9H3N8 1/20 0.50
CYP1A2 P05177 1/20 0.50
FOLH1 Q04609 1/20 0.48
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
MME P08473 2/20 0.46
ACE P12821 2/20 0.46
ACE2 Q9BYF1 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
ACP3 P15309 1/20 0.44

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
SCHEMBL9194477 1.00 CPA1 (0.57) CPA1TDP1CPB1CPA3CPB2
SCHEMBL10338654 1.00 CPA1 (0.57) CPA1TDP1CPB1CPA3CPB2
Hydrochloric Acid SCHEMBL10338413 0.98 CPA1 (0.56) CPA1TDP1CPB1CPA3CPB2
Hydrochloric Acid SCHEMBL10338415 0.98 CPA1 (0.56) CPA1TDP1CPB1CPA3CPB2
SCHEMBL6677809 0.90 CTNNB1 (0.63) CPA1TDP1CTNNB1HRH4CYP1A2
SCHEMBL10477725 0.88 CTNNB1 (0.54) CPA1TDP1CPB1CPA3CPB2
SCHEMBL17537592 0.86 CPA1 (0.65) CPA1CPB1CPA3CPB2CYP1A2
SCHEMBL7296613 0.86 CTNNB1 (0.52) CPA1TDP1CTNNB1HRH4SLC1A3
SCHEMBL10420802 0.86 CTNNB1 (0.60) CPA1TDP1CTNNB1HRH4CYP1A2
SCHEMBL7268294 0.85 CTNNB1 (0.58) CPA1TDP1CTNNB1HRH4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2067243-A None JP disclosed
JP-2111741-A None JP disclosed
JP-2111741-A None JP disclosed
EP-0470702-B1 An optically active morpholino oxobutyric acid hydroxy binaphthalene derivative and its preparation TAKASAGO PERFUMERY CO LTD (JP) 1995-09-27 EP disclosed
US-5106970-A OPTICALLY ACTIVE 4-MORPHOLINO-2-(1-NAPHTHYLMETHYL)-4-OXOBUTYRIC ACID 2'-HYDROXY-1,1'BINAPHTHALEN-2-YL TAKASAGO INTERNATIONAL CORPORATION (JP) 1992-04-21 US disclosed
US-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 US disclosed
EP-0470702-A1 An optically active morpholino oxobutyric acid hydroxy binaphthalene derivative and its preparation Takasago International Corporation (JP) 1992-02-12 EP disclosed
EP-0427939-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1991-05-22 EP disclosed
JP-H02111741-A RACEMIZATION OF OPTICALLY ACTIVE 2-(1-NAPHTHYLMETHYL) SUCCINIC ACID KISSEI PHARMACEUT CO LTD 1990-04-24 JP disclosed
JP-H02111741-A RACEMIZATION OF OPTICALLY ACTIVE 2-(1-NAPHTHYLMETHYL) SUCCINIC ACID KISSEI PHARMACEUT CO LTD 1990-04-24 JP disclosed
JP-H0267243-A (R)-2-(1-NAPHTHYLMETHYL)SUCCINIC ACID DERIVATIVE AND PRODUCTION THEREOF KISSEI PHARMACEUT CO LTD 1990-03-07 JP disclosed
US-4877785-A RENIN INHIBITORS G. D. SEARLE & CO. (US) 1989-10-31 US disclosed
EP-0310072-A2 Non-peptidyl beta-succinamidoacyl aminodiols as anti-hypertensive agents G.D. Searle & Co. (US) 1989-04-05 EP disclosed