SCHEMBL8335085

SCHEMBL8335085

COc1cccc(-c2cc(OC)cc(C)c2C(=O)c2csc3ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CNR2 P34972 3/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CNR1 P21554 2/20 0.41
SLC9A1 P19634 2/20 0.40
BRD4 O60885 1/20 0.40
EDNRA P25101 1/20 0.39
ALOX12 P18054 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39

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
SCHEMBL8336291 0.92 MAPT (0.43) MAPTALDH1A1CNR2KDM4EMEN1
SCHEMBL8340604 0.92 MAPT (0.43) MAPTALDH1A1LMNAHSD17B10CNR2
SCHEMBL8334344 0.90 MAPT (0.38) MAPTALDH1A1LMNAHSD17B10CNR2
SCHEMBL8336809 0.89 CNR2 (0.47) MAPTALDH1A1HSD17B10CNR2KDM4E
SCHEMBL8337435 0.88 MAPT (0.46) MAPTALDH1A1LMNAHSD17B10CNR2
SCHEMBL8334430 0.86 CNR2 (0.41) MAPTALDH1A1CNR2KDM4EMEN1
SCHEMBL8340660 0.84 MAPT (0.45) MAPTALDH1A1LMNACNR2KDM4E
SCHEMBL8340813 0.82 TUBB4A (0.40) MAPTALDH1A1CNR2KDM4EMEN1
SCHEMBL8336438 0.81 CNR2 (0.46) MAPTALDH1A1HSD17B10CNR2KDM4E
SCHEMBL8340639 0.79 CNR2 (0.41) MAPTCNR2KDM4EMEN1HPGD

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
US-5948796-A OSTEOPOROSIS, CANCER, CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 1999-09-07 US disclosed