SCHEMBL8338448

SCHEMBL8338448

Cc1ccc(-c2ccc(OC(=O)c3ccccc3)cc2C(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 5/20 0.44
MAPT P10636 5/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 3/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
ESR1 P03372 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
PGR P06401 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
SLC6A2 P23975 1/20 0.43
PDE4A P27815 1/20 0.43

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
SCHEMBL9682972 0.81 KMT2A (0.44) NPC1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL13039041 0.80 HSD17B1 (0.51) NPC1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL8335747 0.79 HSD17B10 (0.57) NPC1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL8336509 0.79 LMNA (0.53) HCRTR1HCRTR2NPC1KMT2AMAPT
SCHEMBL17653993 0.79 HPGD (0.64) NPC1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL11111888 0.78 PARP10 (0.56) NPC1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL13039039 0.77 KMT2A (0.54) NPC1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL14524363 0.77 SRD5A2 (0.51) HCRTR1HCRTR2CYP2C8
SCHEMBL13256653 0.77 SRD5A2 (0.51) HCRTR1HCRTR2CYP2C8
SCHEMBL19726963 0.77 PRSS1 (0.56) NPC1SMN1; SMN2KMT2AMAPTMEN1

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-1999007694-A1 COMPOUNDS AND USES THEREOF ELI LILLY AND COMPANY (US) 1999-02-18 WO disclosed