SCHEMBL4725923

SCHEMBL4725923

O=C(O)c1ccc(CCCc2cccc(OCc3ccc(F)cc3)c2)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.57
MAOB P27338 4/20 0.50
MGLL Q99685 1/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 2/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
PKM P14618 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
CASP6 P55212 1/20 0.46

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
SCHEMBL4725186 0.93 NR4A2 (0.60) NR4A2MAOBRAB9ANPC1MRGPRX4
SCHEMBL4726535 0.91 FFAR1 (0.46) NR4A2MAOBRAB9ANPC1MAPT
SCHEMBL4779408 0.84 FFAR1 (0.48) NR4A2MAOBRAB9ANPC1MRGPRX4
SCHEMBL22610059 0.81 NR4A2 (0.47) NR4A2MAOBRAB9ANPC1SMN1; SMN2
SCHEMBL1051817 0.78 POLB (0.50) NR4A2RAB9ANPC1TSHRSMN1; SMN2
SCHEMBL16703151 0.78 POLB (0.50) NR4A2RAB9ANPC1TSHRSMN1; SMN2
SCHEMBL5090803 0.75 NR4A2 (0.68) NR4A2MAOBRAB9AMRGPRX4TSHR
SCHEMBL18293505 0.75 MAOB (0.57) NR4A2MAOBMGLLRAB9ASMN1; SMN2
SCHEMBL3229701 0.75 POLB (0.75) NR4A2RAB9ANPC1TSHRSMN1; SMN2
SCHEMBL19984727 0.74 NPC1 (0.67) NR4A2RAB9ANPC1SMN1; SMN2KMT2A

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