SCHEMBL13925973

SCHEMBL13925973

C=C1c2ccccc2-c2cccc(C(=O)Nc3cccc(C(=O)O)c3C(=O)O)c21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP8 Q96LD8 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43

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
SCHEMBL13925819 0.88 LMNA (0.51) KMT2AKDM4EMEN1PKMLMNA
SCHEMBL677700 0.86 ALDH1A1 (0.63) LMNAALDH1A1MAPT
SCHEMBL13926029 0.85 KDM4E (0.48) KMT2AKDM4ENPC1CASP3RAB9A
SCHEMBL13925792 0.85 KMT2A (0.47) KMT2ACASP3MEN1PKMLMNA
SCHEMBL6848585 0.79 NPC1 (0.54) KMT2AKDM4ENPC1CASP3RAB9A
SCHEMBL6847188 0.78 NPC1 (0.53) KMT2AKDM4ENPC1CASP3RAB9A
SCHEMBL13925815 0.77 H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 (0.51) HSD17B10LMNA
SCHEMBL7832216 0.76 MEN1 (0.68) KMT2ANPC1RAB9AMEN1PKM
SCHEMBL13926027 0.76 TOP1 (0.43) KMT2AMEN1PKMLMNA
SCHEMBL13926028 0.76 HDAC2 (0.43) KMT2AKDM4ENPC1CASP3RAB9A

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-2009038842-A2 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE MISSION PHARMACAL CO. (US) 2009-03-26 WO disclosed