SCHEMBL24126774

SCHEMBL24126774

CC(=O)Cc1cc(C)c(C)cc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HMGB1 P09429 1/20 0.39
▸ CXCL12 P48061 1/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ MCL1 Q07820 1/20 0.37
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35

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
SCHEMBL11790986 0.86 ALOX15 (0.47) KDM4EHPGDHSD17B10GAAALDH1A1
SCHEMBL18432461 0.81 GABRP (0.48) KDM4EHPGDHSD17B10GAAALDH1A1
SCHEMBL13199300 0.79 KDM4E (0.42) KDM4EHPGDHSD17B10GAAALDH1A1
SCHEMBL16527178 0.79 CYP3A4 (0.45) HPGDCYP3A4GAAALDH1A1NPSR1
SCHEMBL11773187 0.77 CSNK2A1 (0.53) KDM4ECYP3A4GAAALDH1A1NOTUM
SCHEMBL30742613 0.76 ALOX15 (0.46) KDM4EHPGDHSD17B10GAANPSR1
SCHEMBL28183452 0.76 KDM4E (0.50) KDM4EHPGDHSD17B10ALDH1A1L3MBTL1
SCHEMBL5691127 0.75 CYP3A4 (0.42) KDM4EHPGDHSD17B10CYP3A4GAA
SCHEMBL30442476 0.75 KDM4E (0.54) KDM4EHPGDHSD17B10GAAALDH1A1
SCHEMBL235710 0.75 KDM4E (0.54) KDM4EHPGDHSD17B10GAAALDH1A1

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-2021257669-A1 SYNTHESIS OF SUBSTITUTED ARYLMETHYLUREAS, ANALOGUES, AND CRYSTALLINE FORMS THEREOF AND METHODS OF USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-12-23 — — WO disclosed
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