SCHEMBL8925345

SCHEMBL8925345

CC(C)(C)OB(O)c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.46
ESR1 P03372 8/20 0.39
ESR2 Q92731 8/20 0.39
CYP3A4 P08684 3/20 0.39
LMNA P02545 2/20 0.39
TYR P14679 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
AR P10275 1/20 0.39
TSHR P16473 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR6 P50406 1/20 0.39
ESRRG P62508 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL1181137 0.82 ENPP2 (0.41) ENPP2ESR1ESR2CYP3A4LMNA
SCHEMBL26452 0.80 TRPV6 (0.44) ENPP2ESR1ESR2CYP3A4HSD17B10
SCHEMBL6609673 0.77 ESR1 (0.38) ENPP2ESR1ESR2CYP3A4LMNA
SCHEMBL1507183 0.75 TRPV6 (0.39) ENPP2HSD17B10TSHRALDH1A1CA1
SCHEMBL29267529 0.75 ENPP2 (0.58) ENPP2
SCHEMBL1290227 0.75 ENPP2 (0.52) ENPP2ESR1ESR2CYP3A4LMNA
SCHEMBL31416487 0.74 ENPP2 (0.41) ENPP2ESR1ESR2CYP3A4LMNA
SCHEMBL27996709 0.70 ENPP2 (0.52) ENPP2ESR1ESR2CYP3A4LMNA
SCHEMBL22536178 0.70 ENPP2 (0.46) ENPP2ESR1ESR2CYP3A4LMNA
SCHEMBL17476000 0.68 ENPP2 (0.71) ENPP2ESR1ESR2CYP3A4LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622962-A PROSTATE CANCER, SKIN DISORDERS, BALDNESS ELI LILLY AND COMPANY (US) 1997-04-22 US disclosed
US-5578724-A INHIBITORS OF 5-ALPHA-REDUCTASE ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
WO-1996035422-A1 METHODS FOR INHIBITING BONE LOSS ELI LILLY AND COMPANY (US) 1996-11-14 WO disclosed