SCHEMBL8338592

SCHEMBL8338592

O=Cc1ccc(OCCC2CCCCO2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.65
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 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
SCHEMBL1299560 0.86 HPGD (0.64) HPGDALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL8104626 0.82 ALDH1A1 (0.49) HPGDALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL4122451 0.81 HPGD (0.58) HPGDALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL8844957 0.81 ALDH1A1 (0.47) HPGDALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL1300023 0.80 HPGD (1.00) HPGD
SCHEMBL1300025 0.80 HPGD (1.00) HPGD
SCHEMBL4119494 0.80 MEN1 (0.58) HPGDALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL29963406 0.80 MEN1 (0.65) HPGDALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL1300352 0.79 NFE2L2 (0.61) HPGDALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL4021594 0.78 MEN1 (0.67) HPGDALDH1A1KDM4ESMN1; SMN2NPC1

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-1999007693-A1 BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 1999-02-18 WO disclosed