SCHEMBL4050992

SCHEMBL4050992

O=Cc1ccc(OCc2ccc3c(c2)CCC3)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 4/20 0.64
RAB9A P51151 8/20 0.58
NPC1 O15118 7/20 0.53
RXRA P19793 3/20 0.53
RXRG P48443 3/20 0.53
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
GFER P55789 1/20 0.50
PAX8 Q06710 1/20 0.50
KLF5 Q13887 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
GAA P10253 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
MAOA P21397 4/20 0.45

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
SCHEMBL5413870 0.82 PPARG (0.58) RXRBRAB9ANPC1RXRARXRG
SCHEMBL11614936 0.79 RAB9A (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL23223734 0.79 RAB9A (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL8811247 0.77 RXRB (0.61) RXRBRAB9ANPC1RXRARXRG
SCHEMBL6142387 0.76 STS (0.49) RXRBRAB9ANPC1RXRARXRG
SCHEMBL6142503 0.76 HRH3 (0.46) RXRBRAB9ANPC1RXRARXRG
SCHEMBL8545870 0.76 RAB9A (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL12578070 0.76 RAB9A (0.51) RXRBRAB9ANPC1RXRARXRG
SCHEMBL4056130 0.75 MMP13 (0.67) RAB9ANPC1HPGD
SCHEMBL27645613 0.74 RXRB (0.50) RXRBRAB9ANPC1RXRARXRG

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