SCHEMBL28386407

SCHEMBL28386407

CC(C)(C)OC(=O)Oc1ccc(C(=O)CBr)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 4/20 0.68
▸ GSK3B P49841 9/20 0.57
▸ PTPN1 P18031 6/20 0.46
▸ KDM1A O60341 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CA2 P00918 1/20 0.38

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
SCHEMBL11974552 0.87 ELANE (0.72) ELANEGSK3BKDM1AALDH1A1LMNA
SCHEMBL9128684 0.85 ELANE (0.70) ELANEKDM1AALDH1A1LMNAALOX15
SCHEMBL4061370 0.82 ELANE (0.81) ELANEKDM1ALMNATDP1CA2
SCHEMBL10483714 0.81 ELANE (1.00) ELANEKDM1A
SCHEMBL8418148 0.80 ELANE (0.66) ELANEGSK3BPTPN1
SCHEMBL4048416 0.80 ELANE (0.62) ELANEKDM1ACA2
SCHEMBL8998586 0.80 ELANE (0.77) ELANEKDM1ALMNA
SCHEMBL11775529 0.80 GSK3B (0.65) ELANEGSK3BPTPN1ALDH1A1LMNA
SCHEMBL4059722 0.80 ELANE (0.77) ELANEKDM1AALDH1A1ALOX15MAPK1
SCHEMBL4060714 0.80 ELANE (0.77) ELANEKDM1ALMNAHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111094256-A Compound, latent ultraviolet absorber, composition, cured product, and method for producing cured product 株式会社艾迪科 2020-05-01 — — CN disclosed
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