SCHEMBL9602990

SCHEMBL9602990

COC(=O)CCC(CC[O])OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
SLC1A1 P43005 1/20 0.41
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 3/20 0.36
CA12 O43570 3/20 0.36
CA14 Q9ULX7 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RECQL P46063 1/20 0.32

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
SCHEMBL732892 0.91 TSHR (0.57) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL9602992 0.83 TSHR (0.48) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL28360019 0.81 TSHR (0.50) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL17526664 0.80 TSHR (0.46) TSHRSLC1A1CA12CA14CA7
SCHEMBL17526790 0.80 TSHR (0.46) TSHRSLC1A1CA12CA14CA7
SCHEMBL14066245 0.78 TSHR (0.46) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL17524012 0.77 TSHR (0.43) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL17524011 0.77 TSHR (0.43) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL29227996 0.75 TSHR (0.56) TSHRKMT2ALMNAALDH1A1L3MBTL1
SCHEMBL9516151 0.75 TSHR (0.43) TSHRSLC1A1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0232623-B1 1-CARBACEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
US-4892942-A 1-CARBA (DETHIA)CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1990-01-09 US disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed