SCHEMBL22021943

SCHEMBL22021943

CCc1cc(CBr)ccc1OC(=O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 16/20 0.45
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
HIF1A Q16665 1/20 0.41
AKT1 P31749 1/20 0.41
ADRB2 P07550 1/20 0.40
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 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
SCHEMBL19663401 0.83 ELANE (0.46) ELANEALDH1A1LMNACYP3A4HIF1A
SCHEMBL7628046 0.82 ELANE (0.45) ELANEALDH1A1LMNACYP3A4HIF1A
SCHEMBL18826239 0.80 ELANE (0.47) ELANEALDH1A1LMNACYP3A4HIF1A
SCHEMBL19655518 0.75 ELANE (0.39) ELANEALDH1A1LMNACYP3A4HIF1A
SCHEMBL15867625 0.74 ELANE (0.61) ELANELMNA
SCHEMBL7276499 0.74 ELANE (0.73) ELANE
SCHEMBL27584061 0.73 HTR1D (0.46) ELANE
SCHEMBL1033055 0.72 ELANE (0.51) ELANECYP3A4CYP4F2CYP4A11
SCHEMBL28128282 0.72 GUCY1A1 (0.33) ELANEALDH1A1LMNACYP3A4CYP4F2
SCHEMBL9211912 0.71 CCR5 (0.38) ALDH1A1HIF1AAKT1CYP4F2CYP4A11

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
WO-2020101450-A1 DERIVATIVE COMPOUNDS OF AZILSARTAN, INTERMEDIATES THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 엠에프씨 주식회사 2020-05-22 WO disclosed