SCHEMBL7368018

SCHEMBL7368018

CCc1ccc(O)c(C(C)C)c1-c1c(C)cc(O)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.37
BCL2L1 Q07817 2/20 0.37
MCL1 Q07820 2/20 0.37
BCL2L2 Q92843 2/20 0.37
ESR1 P03372 9/20 0.35
ESR2 Q92731 8/20 0.35
ALOX15 P16050 2/20 0.35
ALOX12 P18054 2/20 0.35
CYP3A4 P08684 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALB P02768 1/20 0.33
NR3C1 P04150 2/20 0.33
PGR P06401 2/20 0.33
NR3C2 P08235 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
LDHA P00338 1/20 0.33

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
SCHEMBL27407567 0.74 ALOX12 (0.41) ESR1ESR2ALOX15ALOX12KDM4E
SCHEMBL23841449 0.71 TYR (0.41) ESR1ESR2ALOX15ALOX12NR3C1
SCHEMBL11529244 0.69 CYP3A4 (0.42) MCL1ESR1ESR2ALOX15ALOX12
SCHEMBL7115820 0.69 AKR1B1 (0.40) BCL2BCL2L1MCL1BCL2L2ESR1
SCHEMBL282461 0.69 ESR1 (0.39) ESR1ESR2NR3C1PGRNR3C2
SCHEMBL14647773 0.67 GABRA1 (0.45) BCL2BCL2L1MCL1BCL2L2ESR1
SCHEMBL5379461 0.67 CYP3A4 (0.48) BCL2BCL2L1MCL1BCL2L2ALOX15
SCHEMBL476694 0.66 CYP3A4 (0.58) ESR1ESR2ALOX15ALOX12CYP3A4
SCHEMBL2018825 0.66 ESR2 (0.47) ESR1ESR2ALOX15CYP3A4TDP1
SCHEMBL16018022 0.66 CYP3A4 (0.42) ESR1ALOX15CYP3A4SMN1; SMN2TDP1

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
EP-0991618-A4 SELECTIVE THYROID HORMONE ANALOGS UNIV CALIFORNIA (US) 2000-09-27 EP disclosed
EP-0991618-A1 SELECTIVE THYROID HORMONE ANALOGS The Regents of the University of California (US) 2000-04-12 EP disclosed
WO-1998057919-A1 SELECTIVE THYROID HORMONE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-12-23 WO disclosed