SCHEMBL4050773

SCHEMBL4050773

O=Cc1ccc(OCc2ccc(OC3CCCC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 5/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PARP10 Q53GL7 1/20 0.42
NAAA Q02083 1/20 0.42
ACACB O00763 2/20 0.41
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
GSK3B P49841 1/20 0.40
BACE1 P56817 1/20 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
SCHEMBL4060325 0.99 RAB9A (0.50) RAB9AALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL510213 0.86 ALDH1A1 (0.55) ALDH1A1TSHRHPGDKDM4EPARP10
SCHEMBL510687 0.84 HPGD (0.56) ALDH1A1TSHRHPGDKDM4EPARP10
SCHEMBL4058730 0.84 HPGD (0.56) ALDH1A1TSHRHPGDKDM4EPARP10
SCHEMBL3636729 0.84 ALDH1A1 (0.56) ALDH1A1TSHRHPGDSMN1; SMN2LMNA
SCHEMBL11997230 0.82 HRH3 (0.55) RAB9AALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4048737 0.82 HRH3 (0.55) RAB9AALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL23223734 0.82 RAB9A (0.69) RAB9AALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL11614936 0.82 RAB9A (0.69) RAB9AALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4058957 0.81 HRH3 (0.57) RAB9AALDH1A1HPGDSMN1; SMN2LMNA

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