SCHEMBL8843243

SCHEMBL8843243

Cc1cc(C)c2c(c1C)OC(C)(CI)CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.37
MAPT P10636 3/20 0.34
LMNA P02545 3/20 0.34
USP2 O75604 2/20 0.34
CYP2C9 P11712 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GSTP1 P09211 1/20 0.34
TTPA P49638 1/20 0.34
THRB P10828 1/20 0.34
CYP2C19 P33261 1/20 0.34
NR1I2 O75469 1/20 0.34
AKT1 P31749 3/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
HIF1A Q16665 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
SCHEMBL7501769 0.88 ALOX5 (0.38) ALOX5MAPTLMNAUSP2CYP2C9
SCHEMBL16282031 0.86 ALOX5 (0.37) ALOX5MAPTLMNAUSP2CYP2C9
SCHEMBL20819447 0.84 ALOX5 (0.41) ALOX5MAPTLMNAUSP2CYP2C9
SCHEMBL20819448 0.84 ALOX5 (0.41) ALOX5MAPTLMNAUSP2CYP2C9
SCHEMBL660010 0.84
SCHEMBL7799058 0.82 ALOX5 (0.45) ALOX5MAPTLMNAUSP2CYP2C9
SCHEMBL20822166 0.82 AKT1 (0.36) ALOX5MAPTLMNAUSP2CYP2C9
SCHEMBL10350387 0.82 ALOX5 (0.42) ALOX5MAPTLMNAUSP2CYP2C9
SCHEMBL11621017 0.81 ALOX5 (0.39) ALOX5MAPTLMNAUSP2CYP2C9
SCHEMBL7797212 0.80 ALOX5 (0.43) ALOX5NR1I2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8291163-A None JP disclosed
US-5663389-A 3,4-Dihydro-2-iodomethyl-2,5,7,8-tetramethyl-2H-1-benzopyrans ALFA WASSERMANN S.P.A. (IT) 1997-09-02 US disclosed
JP-H08291163-A 3,4-DIHYDRO-2-IODOMETHYL-2,5,7,8-TETRAMETHYL-2H-1-BENZOPYRANS ALFA WASSERMANN SPA 1996-11-05 JP disclosed
EP-0737681-A1 3,4-Dihydro-2-iodomethyl-2,5,7,8-tetramethyl-2H-1-benzopyrans ALFA WASSERMANN S.p.A. (IT) 1996-10-16 EP disclosed