SCHEMBL4058957

SCHEMBL4058957

O=Cc1ccc(COc2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.57
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
GPR35 Q9HC97 1/20 0.47
PTPN1 P18031 1/20 0.46
ALDH1A1 P00352 4/20 0.45
KCNH2 Q12809 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
NAAA Q02083 1/20 0.41

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
SCHEMBL4052078 1.00 HRH3 (0.57) HRH3RAB9ANPC1MEN1POLB
SCHEMBL11997230 0.99 HRH3 (0.55) HRH3RAB9ANPC1MEN1POLB
SCHEMBL4048737 0.99 HRH3 (0.55) HRH3RAB9ANPC1MEN1POLB
SCHEMBL4054763 0.86 HRH3 (0.49) HRH3RAB9ANPC1MEN1POLB
SCHEMBL4060325 0.83 RAB9A (0.50) HRH3RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL22139428 0.82 HRH3 (0.62) HRH3KCNH2MRGPRX4LMNA
SCHEMBL21752934 0.82 HAO1 (0.48) HRH3RAB9ANPC1MEN1POLB
SCHEMBL4050773 0.81 RAB9A (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL23223734 0.81 RAB9A (0.69) RAB9ANPC1MEN1KMT2APTPN1
SCHEMBL11614936 0.81 RAB9A (0.69) RAB9ANPC1MEN1KMT2APTPN1

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