SCHEMBL20029756

SCHEMBL20029756

CNC(=O)/C=C/c1ccc(OC)c(CC=C(C)C)c1OCc1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 6/20 0.52
▸ ABCB1 P08183 2/20 0.47
▸ PTPN1 P18031 2/20 0.43
▸ TNFRSF1A P19438 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ LY96 Q9Y6Y9 1/20 0.42
▸ APP P05067 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ AKR1C4 P17516 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40

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
SCHEMBL7776748 0.92 HDAC8 (0.62) HDAC8ABCB1PTPN1TNFRSF1AMAPT
SCHEMBL7775518 0.92 HDAC8 (0.62) HDAC8ABCB1PTPN1TNFRSF1AMAPT
SCHEMBL30039059 0.92 HDAC8 (0.62) HDAC8ABCB1PTPN1TNFRSF1AMAPT
SCHEMBL8440487 0.91 HDAC8 (0.51) HDAC8ABCB1PTPN1TNFRSF1AALOX5
SCHEMBL2337927 0.89 AKR1C3 (0.48) HDAC8ABCB1PTPN1TNFRSF1AALOX5
SCHEMBL2337919 0.89 AKR1C3 (0.48) HDAC8ABCB1PTPN1TNFRSF1AALOX5
SCHEMBL7780194 0.85 ABCB1 (0.44) HDAC8ABCB1PTPN1TNFRSF1AALOX5
SCHEMBL8444331 0.85 HDAC8 (0.53) HDAC8ABCB1PTPN1ALOX5APP
SCHEMBL7776254 0.85 HDAC1 (0.51) HDAC8
SCHEMBL7776246 0.85 HDAC1 (0.51) HDAC8

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-2018059543-A1 METHODS FOR TREATING OCULAR DISEASES SPRINGSKY BIOMED COMPANY LIMITED (CN) 2018-04-05 — — WO disclosed
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