SCHEMBL8943857

SCHEMBL8943857

Cc1ccc(C[C]=O)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP3A4 P08684 1/20 0.42
KDM4E B2RXH2 1/20 0.39
CCR2 P41597 1/20 0.38
AGTR1 P30556 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
KDM1A O60341 1/20 0.38
HPGD P15428 3/20 0.36
PNMT P11086 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PTGS2 P35354 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL97716 0.84 MCL1 (0.39) ALDH1A1NPSR1PNMTTAAR1SMN1; SMN2
SCHEMBL5255980 0.81 ALDH1A1 (0.36) ALDH1A1GAAMAPTSMN1; SMN2KMT2A
SCHEMBL97464 0.81 PNMT (0.54) ALDH1A1PNMTTAAR1SMN1; SMN2KMT2A
SCHEMBL30336953 0.80 MAPT (0.43) ALDH1A1NPSR1CYP3A4KDM4ECCR2
SCHEMBL7202582 0.80 MAPT (0.43) ALDH1A1NPSR1CYP3A4KDM4ECCR2
SCHEMBL20263500 0.77 ALDH1A1 (0.41) ALDH1A1NPSR1CYP3A4KDM4ECCR2
SCHEMBL27689636 0.77 CYP3A4 (0.46) ALDH1A1NPSR1CYP3A4KDM4ECCR2
SCHEMBL12107538 0.76 CYP3A4 (0.54) ALDH1A1NPSR1CYP3A4KDM4ECCR2
SCHEMBL1529004 0.76 CA2 (0.56) CYP3A4
SCHEMBL11698902 0.76 TSHR (0.42) ALDH1A1NPSR1CYP3A4KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-5532353-A Process for the preparation of halogenated β-lactam compounds BIOCHIMICA OPOS SPA (IT) 1996-07-02 US disclosed
EP-0570058-A2 Process for the preparation of halogenated beta-lactam compounds BIOCHIMICA OPOS SPA (IT) 1993-11-18 EP disclosed
US-4992544-A Intermediates for b-lactam antibiotics and b-lactamase inhibitor UNIVERSITY OF NOTRE DAME DU LAC (US) 1991-02-12 US disclosed
US-4533497-A N-ethylidene azetidinones ELI LILLY AND COMPANY (US) 1985-08-06 US disclosed
US-4281116-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-07-28 US disclosed
US-4260745-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1981-04-07 US disclosed
US-4252950-A ANTIBIOTICS, BACTERICIDES, FUNGICIDES ELI LILLY AND COMPANY (US) 1981-02-24 US disclosed
US-4208515-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1980-06-17 US disclosed
US-4065618-A Process for 3-H-3-cephem esters ELI LILLY AND COMPANY (US) 1977-12-27 US disclosed
US-4065621-A Process for 3-alkyl and 3-phenyl cephalosporins ELI LILLY AND COMPANY (US) 1977-12-27 US disclosed
US-4064343-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-12-20 US disclosed
US-4013651-A 3-SUBSTITUTED AMINO-CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1977-03-22 US disclosed
US-3992377-A 3-Thio-substituted cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1976-11-16 US disclosed
US-3985737-A ANTIBACTERIAL AGENTS ELI LILLY AND COMPANY (US) 1976-10-12 US disclosed
US-3962227-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1976-06-08 US disclosed