SCHEMBL1698253

SCHEMBL1698253

O=C(O)c1ccc(C(=O)NCCc2ccccc2)c(C(=O)O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.58
▸ KDM5A P29375 1/20 0.58
▸ KDM5C P41229 1/20 0.58
▸ KDM5B Q9UGL1 1/20 0.58
▸ HDAC2 Q92769 2/20 0.57
▸ HDAC8 Q9BY41 2/20 0.57
▸ HDAC6 Q9UBN7 2/20 0.57
▸ RAB9A P51151 10/20 0.56
▸ NPC1 O15118 8/20 0.56
▸ MYC P01106 1/20 0.54
▸ HDAC3 O15379 1/20 0.54
▸ HDAC4 P56524 1/20 0.54
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC7 Q8WUI4 1/20 0.54
▸ HDAC10 Q969S8 1/20 0.54
▸ HDAC11 Q96DB2 1/20 0.54
▸ HDAC9 Q9UKV0 1/20 0.54
▸ HDAC5 Q9UQL6 1/20 0.54

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
SCHEMBL1849467 0.84 MAPT (0.79) LMNAMAPTKDM4EHDAC2HDAC8
SCHEMBL16352053 0.81 RAB9A (0.62) LMNAMAPTHDAC2HDAC8HDAC6
SCHEMBL822668 0.81 RAB9A (0.62) LMNAMAPTHDAC2HDAC8HDAC6
SCHEMBL3796253 0.81 RAB9A (0.62) LMNAMAPTHDAC2HDAC8HDAC6
SCHEMBL7282271 0.81 HDAC2 (0.78) MAPTKDM4EKDM5AKDM5CKDM5B
SCHEMBL29846373 0.80 HSD17B10 (0.46) LMNAMAPTKDM4EHDAC2HDAC8
SCHEMBL12601200 0.80 POLB (0.53) LMNAMAPTKDM4ERAB9AMYC
SCHEMBL4657235 0.78 MEN1 (0.63) MAPTKDM4EKDM5AKDM5CKDM5B
SCHEMBL22268780 0.78 TSHR (0.61) RAB9ANPC1SMN1; SMN2
SCHEMBL1116010 0.78 KDM6B (0.59) MAPTKDM4EHDAC8HDAC6HDAC1

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-2011160189-A1 METHOD OF SCREENING FOR INHIBITORS OF sPLA2-IIA SCOTT KIERAN (AU) 2011-12-29 — — WO disclosed
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