SCHEMBL4048737

SCHEMBL4048737

O=Cc1ccc(COc2ccc(C3CCCC3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.55
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
BLM P54132 1/20 0.45
GPR35 Q9HC97 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
PTPN1 P18031 1/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
KCNH2 Q12809 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAOA P21397 4/20 0.40
MAOB P27338 4/20 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
SCHEMBL11997230 1.00 HRH3 (0.55) HRH3RAB9ANPC1KMT2AMEN1
SCHEMBL4058957 0.99 HRH3 (0.57) HRH3RAB9ANPC1KMT2AMEN1
SCHEMBL4052078 0.99 HRH3 (0.57) HRH3RAB9ANPC1KMT2AMEN1
SCHEMBL4054763 0.85 HRH3 (0.49) HRH3RAB9ANPC1KMT2AMEN1
SCHEMBL4050773 0.82 RAB9A (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL23223734 0.82 RAB9A (0.69) RAB9ANPC1KMT2AMEN1PTPN1
SCHEMBL11614936 0.82 RAB9A (0.69) RAB9ANPC1KMT2AMEN1PTPN1
SCHEMBL4060325 0.81 RAB9A (0.50) HRH3RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL3438249 0.80 HDAC1 (0.46) KMT2AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL23898437 0.80 HRH3 (0.55) HRH3RAB9ANPC1MRGPRX4KCNH2

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-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed