SCHEMBL9508167

SCHEMBL9508167

COc1cc(C)c2c(c1C)C(O)CC2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.41
UGT2B17 O75795 2/20 0.37
POLL Q9UGP5 1/20 0.35
HTR2A P28223 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
ADRA1A P35348 1/20 0.33
EPAS1 Q99814 1/20 0.33
JUN P05412 1/20 0.33
MAP3K14 Q99558 1/20 0.33
UBE2D3 P61077 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL13616713 0.72 ADRA1A (0.50) POLLADRA1AEPAS1
SCHEMBL30109346 0.69 MAP3K14 (0.47) UGT2B17EPAS1MAP3K14
SCHEMBL9506919 0.69 ALOX5 (0.42) ALOX5HTR2AUSP2ALDH1A1LMNA
SCHEMBL7096349 0.69 MAP3K14 (0.47) UGT2B17EPAS1MAP3K14
SCHEMBL7038617 0.67 HTR2A (0.32) ALOX5HTR2AUBE2D3
SCHEMBL24733600 0.66 HTR2A (0.44) ALOX5HTR2AADRA1AJUN
SCHEMBL31556321 0.66 ALOX5 (0.43) ALOX5POLLHTR2AADRA1A
SCHEMBL24811429 0.64 CYP3A4 (0.57) ALOX5ALDH1A1LMNAPOLB
SCHEMBL18688667 0.63 EPAS1 (0.38) EPAS1MAP3K14
SCHEMBL24698046 0.63 ERN1 (0.39) POLLHTR2A

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-0295037-B1 PHENOL DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-08-18 EP disclosed
US-5162571-A Phenol derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-11-10 US disclosed
EP-0295037-A2 Phenol derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-12-14 EP disclosed