SCHEMBL4053874

SCHEMBL4053874

O=Cc1ccc(OCC(O)c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
BLM P54132 1/20 0.46
GPR35 Q9HC97 1/20 0.46
HRH3 Q9Y5N1 4/20 0.40
KCNH2 Q12809 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL4050471 0.78 PTGS2 (0.51) MEN1KMT2APOLBBLMGPR35
SCHEMBL4050468 0.78 PTGS2 (0.51) MEN1KMT2APOLBBLMGPR35
SCHEMBL4058957 0.78 HRH3 (0.57) ALDH1A1MEN1KMT2ANPC1POLB
SCHEMBL4052078 0.78 HRH3 (0.57) ALDH1A1MEN1KMT2ANPC1POLB
SCHEMBL936767 0.77 KMT2A (0.48) ALDH1A1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL14125889 0.77 MAPT (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL4052863 0.77 MYC (0.46) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL4052867 0.77 MYC (0.46) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL936476 0.77 KMT2A (0.49) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL937188 0.77 KMT2A (0.49) ALDH1A1MEN1KMT2ANPC1RAB9A

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