SCHEMBL11245161

SCHEMBL11245161

CC(C)(C)C(=O)Oc1c[c]ccc1OC(=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 18/20 0.47
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
HIF1A Q16665 1/20 0.40
ADRB2 P07550 1/20 0.39

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
SCHEMBL11108319 0.91 ELANE (0.44) ELANEALDH1A1LMNACYP3A4HIF1A
SCHEMBL9370693 0.79 ELANE (0.45) ELANE
SCHEMBL1451808 0.79 KDM4E (0.44) ALDH1A1LMNA
SCHEMBL29607284 0.76 ELANE (0.74) ELANEALDH1A1LMNACYP3A4HIF1A
SCHEMBL2471671 0.75 ELANE (0.64) ELANE
SCHEMBL11422532 0.75 MEN1 (0.38)
SCHEMBL11259665 0.74 ALDH1A1 (0.44) ELANEALDH1A1LMNACYP3A4HIF1A
SCHEMBL7219935 0.73 ELANE (0.52) ELANE
SCHEMBL5468257 0.71 ALDH1A1 (0.40) ELANEALDH1A1LMNACYP3A4
SCHEMBL11250507 0.71 ALOX15 (0.49) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0019411-B1 1-PHENYL-2-AMINOETHANOL DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS THEREOF IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-22 EP claimed
US-4323575-A TOPICAL ANTIINFLAMMATORY AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-04-06 US claimed
EP-0019411-A1 1-Phenyl-2-aminoethanol derivatives, processes for their manufacture and pharmaceutical compositions thereof IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-11-26 EP claimed
US-4323575-A TOPICAL ANTIINFLAMMATORY AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-04-06 US disclosed
EP-0006298-B1 ANTI-INFLAMMATORY 1-PHENYL-2-AMINOETHANOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF FOR TOPICAL USE, AND PROCESSES FOR THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-03-31 EP disclosed
US-4303649-A ANTIINFLAMMATORY AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-12-01 US disclosed
EP-0019411-A1 1-Phenyl-2-aminoethanol derivatives, processes for their manufacture and pharmaceutical compositions thereof IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-11-26 EP disclosed