SCHEMBL9685758

SCHEMBL9685758

CCN1CCN(C(=O)NC(C(=O)O)c2cccs2)C(=O)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TSHR P16473 3/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ SLC22A6 Q4U2R8 1/20 0.36
▸ SLC22A8 Q8TCC7 1/20 0.36
▸ SLC22A11 Q9NSA0 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL11179902 0.91 ALDH1A1 (0.46) HDAC1HDAC2L3MBTL1TP53ALDH1A1
SCHEMBL10721877 0.91 HDAC1 (0.41) HDAC1HDAC2L3MBTL1TP53ALDH1A1
SCHEMBL10401841 0.90 HDAC1 (0.41) HDAC1HDAC2L3MBTL1TP53ALDH1A1
SCHEMBL10721880 0.90 HDAC1 (0.43) HDAC1HDAC2L3MBTL1TP53ALDH1A1
SCHEMBL10544600 0.89 ALDH1A1 (0.40) HDAC1HDAC2L3MBTL1TP53ALDH1A1
SCHEMBL10543701 0.87 ALDH1A1 (0.39) HDAC1HDAC2L3MBTL1TP53ALDH1A1
SCHEMBL11167302 0.85 TSHR (0.43) L3MBTL1TP53ALDH1A1MEN1KMT2A
SCHEMBL10971675 0.84 HDAC1 (0.40) HDAC1HDAC2L3MBTL1TP53ALDH1A1
SCHEMBL10544295 0.83 L3MBTL1 (0.36) HDAC1HDAC2L3MBTL1TP53ALDH1A1
SCHEMBL9347501 0.83 HDAC1 (0.41) HDAC1HDAC2L3MBTL1TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0191989-B1 ANTIBIOTIC ISOXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-09-02 — — EP disclosed
US-4897489-A 2-/5-OXO-2-TETRAHYDROFURANY4-3-OXOISOXOL-IDINE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-01-30 — — US disclosed
US-4877783-A β-lactam antibacterial agents BEECHAM GROUP P.L.C. (GB) 1989-10-31 — — US disclosed
US-4775670-A BACTERICIDES, ANTIBIOTICS E. R. SQUIBB & SONS, INC. (US) 1988-10-04 — — US disclosed
EP-0071395-B1 BETA-LACTAM ANTIBACTERIAL AGENTS BEECHAM GROUP PLC (GB) 1988-08-10 — — EP disclosed
US-4609652-A FORMAMIDYL DERIVATIVES OF AMINO ACID DERIVATIVE ANTIBIOTICS BEECHAM GROUP P.L.C. (GB) 1986-09-02 — — US disclosed
EP-0191989-A1 Antibiotic isoxazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-08-27 — — EP disclosed
US-4539149-A β-Lactam antibacterial agents BEECHAM GROUP P.L.C. (GB) 1985-09-03 — — US disclosed
US-4529698-A Culturing Chromobacterium E. R. SQUIBB & SONS, INC. (US) 1985-07-16 — — US disclosed
US-4410522-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 1983-10-18 — — US disclosed
EP-0083039-A1 4-Cyano-2-azetidinones and production thereof Takeda Chemical Industries, Ltd. (JP) 1983-07-06 — — EP disclosed
US-4379152-A Cephalosporins TOYAMA CHEMICAL CO., LTD. (JP) 1983-04-05 — — US disclosed
EP-0071395-A1 Beta-lactam antibacterial agents BEECHAM GROUP PLC (GB) 1983-02-09 — — EP disclosed
US-4327097-A BACTERICIDES FOR MAMMALS TOYAMA CHEMICAL CO., LTD. (JP) 1982-04-27 — — US disclosed
EP-0035357-A1 2-Methylcephalosporins and production thereof Takeda Chemical Industries, Ltd. (JP) 1981-09-09 — — EP disclosed
US-4219554-A Novel penicillins and cephalosporins and process for producing same TOYAMA CHEMICAL COMPANY, LIMITED (JP) 1980-08-26 — — US disclosed
US-4112090-A BACTERICIDE TOYAMA CHEMICAL CO., LTD. (JP) 1978-09-05 — — US disclosed
US-4110327-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 1978-08-29 — — US disclosed
US-4087424-A Novel penicillins and cephalosporins and process for producing the same TOYAMA CHEMICAL CO., LTD. (JA) 1978-05-02 — — US disclosed
Send feedback