SCHEMBL9049418

SCHEMBL9049418

COC(=O)C1CO[C@H](C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 1/20 0.34
BRD4 O60885 1/20 0.33
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31
PPP1CC P36873 1/20 0.31
MMP2 P08253 1/20 0.30
ANPEP P15144 1/20 0.30
KMT2A Q03164 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
SCHEMBL9127247 1.00 CYP1A2 (0.35) CYP1A2HIF1AALDH1A1BRD4PPM1B
SCHEMBL25761556 1.00 CYP1A2 (0.35) CYP1A2HIF1AALDH1A1BRD4PPM1B
SCHEMBL13144523 0.78 HCAR2 (0.30)
SCHEMBL3965988 0.73 CYP1A2 (0.39) CYP1A2HIF1AALDH1A1BRD4PPM1B
SCHEMBL3969491 0.72 CYP1A2 (0.34) CYP1A2HIF1AALDH1A1BRD4PPM1B
SCHEMBL2784766 0.70 BRD4 (0.44) CYP1A2HIF1AALDH1A1BRD4MMP2
SCHEMBL13882832 0.70 CYP1A2 (0.46) CYP1A2HIF1AALDH1A1BRD4PPM1B
SCHEMBL21704556 0.69 CACNA1G (0.42) ALDH1A1KMT2A
SCHEMBL27868499 0.69 BRD4 (0.42) CYP1A2HIF1AALDH1A1BRD4MMP2
SCHEMBL5346726 0.68 CYP1A2 (0.41) CYP1A2HIF1AALDH1A1BRD4PPM1B

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-0555068-B1 Oxime derivatives as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1996-04-10 EP disclosed
US-5482966-A LIPOXYGENASE ENZYME INHIBITORS AS ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 1996-01-09 US disclosed
US-5332757-A Enzyme inhibitors ZENECA LIMITED (GB) 1994-07-26 US disclosed
EP-0555068-A1 Oxime derivatives as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1993-08-11 EP disclosed