SCHEMBL20709028

SCHEMBL20709028

O=C(O)c1ccc(C(=O)c2c(OCCO)ccc(F)c2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.44
▸ RARB P10826 3/20 0.40
▸ RARG P13631 3/20 0.40
▸ RARA P10276 2/20 0.40
▸ BCL9 O00512 1/20 0.40
▸ CTNNB1 P35222 1/20 0.40
▸ SRD5A2 P31213 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ BCL2L1 Q07817 1/20 0.38
▸ BAD Q92934 1/20 0.38
▸ TTR P02766 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ ALB P02768 1/20 0.37
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37

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
SCHEMBL16690678 0.92 RARB (0.40) GAARARBRARGRARABCL9
SCHEMBL18044448 0.92 RARB (0.40) GAARARBRARGRARABCL9
SCHEMBL20709025 0.85 MAPT (0.44) GAABCL9CTNNB1LMNARAB9A
SCHEMBL18499050 0.83 RARB (0.40) RARBRARGRARALMNAMAPK1
SCHEMBL18151941 0.83 RARB (0.40) RARBRARGRARALMNAMAPK1
SCHEMBL18044460 0.83 RARB (0.40) RARBRARGRARALMNAMAPK1
SCHEMBL18151908 0.83 RARB (0.46) RARBRARALMNAMAPK1HTT
SCHEMBL8132840 0.82 EGFR (0.46) SRD5A2LMNAMAPK1HTTRAB9A
SCHEMBL18044474 0.78 MAPT (0.43) BCL9CTNNB1LMNAMAPK1HTT
SCHEMBL18044486 0.78 MAPT (0.43) BCL9CTNNB1LMNAMAPK1HTT

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-3067351-B1 COMPOUND HAVING HIGHER INHIBITION OF PROTEIN KINASE G ACTIVITY AND PREPARATION METHOD THEREFOR JENKEM TECH CO LTD TIANJIN (CN) 2019-02-06 — — EP disclosed
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