SCHEMBL4725186

SCHEMBL4725186

O=C(O)c1ccc(CCc2cccc(OCc3ccc(F)cc3)c2)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.60
MAOB P27338 4/20 0.52
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
MRGPRX4 Q96LA9 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 2/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
PKM P14618 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
CASP6 P55212 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL4725923 0.93 NR4A2 (0.57) NR4A2MAOBRAB9ANPC1MRGPRX4
SCHEMBL4779408 0.91 FFAR1 (0.48) NR4A2MAOBRAB9ANPC1MRGPRX4
SCHEMBL4726535 0.84 FFAR1 (0.46) NR4A2MAOBRAB9ANPC1MAPT
SCHEMBL4257586 0.80 AKR1C3 (0.49) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL27555763 0.79 TDP1 (0.56) NR4A2RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4726534 0.78 PTGER1 (0.52) RAB9ANPC1KMT2ALMNAMEN1
SCHEMBL5090803 0.77 NR4A2 (0.68) NR4A2MAOBRAB9AMRGPRX4TSHR
SCHEMBL3229701 0.76 POLB (0.75) NR4A2RAB9ANPC1TSHRSMN1; SMN2
SCHEMBL19984727 0.76 NPC1 (0.67) NR4A2RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL1168262 0.75 NR4A2 (1.00) NR4A2MAOBMRGPRX4TSHRSMN1; SMN2

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
WO-2008016278-A1 FURAN-2-CARBOXYLIC ACID DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-02-07 WO claimed
WO-2008016278-A1 FURAN-2-CARBOXYLIC ACID DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-02-07 WO disclosed