SCHEMBL9601332

SCHEMBL9601332

CC(CC[O])Nc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TSHR P16473 3/20 0.47
CYP3A4 P08684 2/20 0.47
ALOX15 P16050 2/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
THRB P10828 1/20 0.47
CASP1 P29466 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPK1 P28482 3/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL9335465 0.81 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4ALOX15HIF1A
SCHEMBL12744307 0.78 ALDH1A1 (0.78) ALDH1A1TSHRCYP3A4ALOX15HIF1A
SCHEMBL22000398 0.77 SMN1; SMN2 (0.47) ALDH1A1TSHRCYP3A4ALOX15HIF1A
SCHEMBL17604274 0.76 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4ALOX15HIF1A
SCHEMBL10889115 0.76 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4ALOX15HIF1A
SCHEMBL1167951 0.76 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4ALOX15HIF1A
SCHEMBL11173870 0.74 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4ALOX15HIF1A
SCHEMBL5860329 0.74 MEN1 (0.47) ALDH1A1TSHRCYP3A4ALOX15HIF1A
SCHEMBL5860319 0.74 MEN1 (0.47) ALDH1A1TSHRCYP3A4ALOX15HIF1A
SCHEMBL7784550 0.74 KCNH3 (0.51) ALDH1A1TSHRCYP3A4ALOX15HIF1A

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