SCHEMBL9601823

SCHEMBL9601823

C[n+]1ccc(CCCO)nc1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.30

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
SCHEMBL9601810 0.81 HDAC8 (0.31)
Hydrochloric Acid SCHEMBL8467516 0.70 FDPS (0.40)
SCHEMBL10005236 0.70 CYP4A11 (0.44)
Iodide SCHEMBL3423683 0.68 CYP4A11 (0.43)
SCHEMBL21629853 0.68 BCHE (0.32)
Hydrochloric Acid SCHEMBL8465582 0.66 FDPS (0.57)
SCHEMBL8665678 0.65 CCR1 (0.41) CXCR4
SCHEMBL22761748 0.64 CYP4A11 (0.46)
SCHEMBL29420020 0.64 HRH1 (0.60)
SCHEMBL418732 0.64 HRH1 (0.60)

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 3 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-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