SCHEMBL8338080

SCHEMBL8338080

COc1ccc(C(=O)c2cc(O)ccc2C(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
CYP1A2 P05177 2/20 0.56
PGR P06401 2/20 0.56
HPGD P15428 2/20 0.56
SLC6A2 P23975 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2D6 P10635 1/20 0.56
PDE4A P27815 1/20 0.56
MAPK1 P28482 1/20 0.56
HRH1 P35367 1/20 0.56
SLC6A3 Q01959 1/20 0.56
PDE4D Q08499 1/20 0.56
NPC1 O15118 3/20 0.55
MAPT P10636 5/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52

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
SCHEMBL11576250 0.85 NPC1 (0.51) HTTALDH1A1LMNACYP1A2PGR
SCHEMBL28811495 0.85 ALDH1A1 (0.56) HTTALDH1A1LMNACYP1A2PGR
SCHEMBL15214042 0.81 KMT2A (0.64) HTTALDH1A1LMNACYP1A2PGR
SCHEMBL4247963 0.79 LMNA (0.52) HTTALDH1A1LMNACYP1A2PGR
SCHEMBL30374771 0.78 HPGD (0.71) HTTALDH1A1LMNACYP1A2PGR
SCHEMBL93177 0.78 HPGD (0.71) HTTALDH1A1LMNACYP1A2PGR
SCHEMBL8340088 0.78 NPC1 (0.61) HTTALDH1A1LMNACYP1A2PGR
SCHEMBL228916 0.78 LMNA (0.81) HTTALDH1A1LMNACYP1A2PGR
SCHEMBL29415029 0.78 LMNA (0.81) HTTALDH1A1LMNACYP1A2PGR
SCHEMBL8340505 0.78 NPC1 (0.56) HTTALDH1A1LMNACYP1A2PGR

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
EP-0897918-A1 Benzothiophene derivatives and their use as pharmaceutically active agents ELI LILLY AND COMPANY (US) 1999-02-24 EP disclosed
WO-1999007694-A1 COMPOUNDS AND USES THEREOF ELI LILLY AND COMPANY (US) 1999-02-18 WO disclosed