SCHEMBL21444399

SCHEMBL21444399

CC(C)c1cc2c(cc1O)C1(N)CCCC(C)(C)C1CC2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 1/20 0.57
▸ FDPS P14324 12/20 0.51
▸ BCL9 O00512 3/20 0.50
▸ CTNNB1 P35222 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ PTGES O14684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ PNLIP P16233 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ GSTO1 P78417 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50

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
Ferruginol SCHEMBL13423521 0.85 KARS1 (0.73) KARS1FDPSBCL9CTNNB1ALDH1A1
Ferruginol SCHEMBL155580 0.85 KARS1 (0.73) KARS1FDPSBCL9CTNNB1ALDH1A1
Ferruginol SCHEMBL5315022 0.85 KARS1 (0.73) KARS1FDPSBCL9CTNNB1ALDH1A1
Pisiferol SCHEMBL27950408 0.81 FDPS (0.70) KARS1FDPSBCL9CTNNB1ALDH1A1
Pisiferol SCHEMBL30298475 0.81 FDPS (0.70) KARS1FDPSBCL9CTNNB1ALDH1A1
SCHEMBL1439596 0.80 FDPS (0.71) KARS1FDPSBCL9CTNNB1ALDH1A1
SCHEMBL29525911 0.80 FDPS (0.71) KARS1FDPSBCL9CTNNB1ALDH1A1
Pisiferal SCHEMBL29361829 0.80 KARS1 (0.66) KARS1FDPSBCL9CTNNB1ALDH1A1
Sempervirol SCHEMBL10524413 0.80 KARS1 (0.66) KARS1FDPSBCL9CTNNB1ALDH1A1
Sempervirol SCHEMBL10524412 0.80 KARS1 (0.66) KARS1FDPSBCL9CTNNB1ALDH1A1

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
EP-2316267-B1 ANTIBACTERIAL AGENT AND DISINFECTING METHOD MITSUBISHI CHEM CORP (JP) 2019-10-09 — — EP disclosed
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