SCHEMBL7119331

SCHEMBL7119331

COc1ccc(C(=O)c2c(C)cc(O)cc2C)cc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
SYNJ2 O15056 1/20 0.47
CYP3A4 P08684 3/20 0.46
TSHR P16473 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.43
ACHE P22303 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41

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
SCHEMBL7114179 0.89 PTGS1 (0.50) PTGS1PTGS2CYP3A4TSHRCYP1A2
SCHEMBL28758420 0.85 CYP3A4 (0.38) PTGS1PTGS2SYNJ2CYP3A4TSHR
SCHEMBL8498059 0.81 THRB (0.49) PTGS1PTGS2LMNAMEN1KMT2A
SCHEMBL11578757 0.78 ALDH1A1 (0.69) PTGS1PTGS2CYP3A4TSHRCYP1A2
SCHEMBL11813291 0.77 PTGS1 (0.60) PTGS1PTGS2CYP3A4TSHRCYP1A2
SCHEMBL4695867 0.77 CA12 (0.65) PTGS1PTGS2CYP3A4TSHRCYP1A2
SCHEMBL1105482 0.77 ALDH1A1 (0.51) PTGS1PTGS2CYP3A4TSHRCYP1A2
SCHEMBL10239573 0.75 MAPT (0.58) PTGS1PTGS2CYP3A4TSHRCYP1A2
SCHEMBL7436393 0.75 PTGS1 (0.50) PTGS1PTGS2CYP3A4TSHRCYP1A2
SCHEMBL18090937 0.75 MAPK1 (0.59) PTGS1PTGS2CYP3A4TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991618-B1 SELECTIVE THYROID HORMONE ANALOGS UNIV CALIFORNIA (US) 2003-11-12 EP disclosed
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
US-5883294-A THYROID HORMONE AGONIST THE REGEANTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-03-16 US disclosed
WO-1998057919-A1 SELECTIVE THYROID HORMONE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-12-23 WO disclosed