SCHEMBL9602281

SCHEMBL9602281

C[n+]1ccccc1CC[O]

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
HDAC8 Q9BY41 5/20 0.46
KCNH2 Q12809 3/20 0.36
ACHE P22303 2/20 0.34
TSHR P16473 1/20 0.34
HRH1 P35367 1/20 0.34
PDE4D Q08499 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL13595077 0.82 HSD17B10 (0.50) HSD17B10HDAC8KCNH2ACHETSHR
SCHEMBL13595082 0.80 KCNH2 (0.50) HSD17B10HDAC8KCNH2
SCHEMBL1551957 0.80 HSD17B10 (0.49) HSD17B10HDAC8KCNH2ACHETSHR
Fluoride Ion SCHEMBL30331061 0.78 HSD17B10 (0.47) HSD17B10HDAC8KCNH2ACHETSHR
SCHEMBL18824248 0.78 HSD17B10 (0.47) HSD17B10HDAC8KCNH2ACHETSHR
SCHEMBL30569303 0.78 HSD17B10 (0.47) HSD17B10HDAC8KCNH2ACHETSHR
Iodide SCHEMBL4408127 0.78 KCNH2 (0.48) HSD17B10HDAC8KCNH2SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL11431543 0.78 HSD17B10 (0.47) HSD17B10HDAC8KCNH2ACHETSHR
SCHEMBL9602287 0.78 HSD17B10 (0.47) HSD17B10HDAC8KCNH2ACHETSHR
SCHEMBL20273198 0.78 HSD17B10 (0.44) HSD17B10HDAC8KCNH2ACHETSHR

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