SCHEMBL9752590

SCHEMBL9752590

CCCCC(=O)Oc1cc(O)cc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
RECQL P46063 1/20 0.45
MIF P14174 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HSD17B3 P37058 1/20 0.42
CNR1 P21554 4/20 0.41
CNR2 P34972 4/20 0.41
PTGS2 P35354 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGES O14684 1/20 0.40
TOP2A P11388 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 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
SCHEMBL15463445 0.95 KMT2A (0.48) KMT2ASMN1; SMN2CNR1CNR2PTGS2
SCHEMBL22471815 0.93 KMT2A (0.50) KMT2ASMN1; SMN2CNR1CNR2PTGS2
SCHEMBL11546979 0.93 KMT2A (0.50) KMT2ASMN1; SMN2CNR1CNR2PTGS2
SCHEMBL675476 0.93 KMT2A (0.50) KMT2ASMN1; SMN2CNR1CNR2PTGS2
SCHEMBL14060911 0.93 KMT2A (0.50) KMT2ASMN1; SMN2CNR1CNR2PTGS2
SCHEMBL14831865 0.93 KMT2A (0.50) KMT2ASMN1; SMN2CNR1CNR2PTGS2
SCHEMBL9776801 0.90 PTGS2 (0.51) KMT2AKDM4EMEN1RECQLSMN1; SMN2
SCHEMBL4081074 0.90 KMT2A (0.45) KMT2AKDM4EMEN1RECQLMIF
SCHEMBL28468806 0.89 BCL9 (0.49) KMT2AKDM4EMEN1HSD17B3ALOX15
SCHEMBL4988953 0.89 KMT2A (0.40) KMT2AKDM4EMEN1RECQLMIF

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104404058-B Protein for preparing beta-picric acid, and application thereof 中国科学院遗传与发育生物学研究所 2017-04-12 CN disclosed
WO-1991009595-A1 ANTI-VIRAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 1991-07-11 WO disclosed