SCHEMBL9060281

SCHEMBL9060281

Cc1c(C)c2c(c(C)c1O)CCC(C)(COCc1ccccc1)O2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALOX5 P09917 5/20 0.49
PPARG P37231 1/20 0.49
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 2/20 0.47
GSTP1 P09211 1/20 0.47
TTPA P49638 1/20 0.47
USP2 O75604 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NR1I2 O75469 2/20 0.46
CYP4F2 P78329 1/20 0.44

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
SCHEMBL9058170 0.94 MAPT (0.47) MAPTMEN1KMT2ATDP1ALOX5
SCHEMBL3522249 0.85 CYP4F2 (0.53) MAPTMEN1KMT2AALOX5PTGS1
SCHEMBL9467233 0.82 ALOX5 (0.55) MAPTMEN1KMT2AALOX5PTGS1
SCHEMBL9075511 0.79 NR1I2 (0.51) MAPTMEN1KMT2ATDP1ALOX5
SCHEMBL15851242 0.79 MAPT (0.55) MAPTMEN1KMT2ATDP1ALOX5
SCHEMBL9690390 0.78 ALOX5 (0.50) MAPTMEN1KMT2ATDP1ALOX5
SCHEMBL8616499 0.78 MAPT (0.53) MAPTMEN1KMT2ATDP1ALOX5
SCHEMBL8003203 0.77 MAPT (0.64) MAPTMEN1KMT2ATDP1ALOX5
SCHEMBL8122179 0.77 PSEN1 (0.40) MAPTMEN1KMT2ATDP1ALOX5
SCHEMBL8131430 0.77 PSEN1 (0.45) MAPTMEN1KMT2ATDP1ALOX5

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
WO-1996016957-A1 3,4-DIHYDRO-2,5,7,8-TETRAMETHYL-BENZOPYRAN-6-OL DERIVATIVES FOR USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-06-06 WO disclosed