SCHEMBL6985211

SCHEMBL6985211

CCOc1ccc(CCc2cccs2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 3/20 0.59
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 3/20 0.49
CYP2D6 P10635 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP3A4 P08684 2/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
ATM Q13315 1/20 0.49
HTT P42858 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6986357 0.90 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL6986217 0.88 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL680660 0.77 CALM1 (0.71) CALM1ALDH1A1CYP1A2CYP2D6CYP3A4
SCHEMBL28546549 0.76 CA2 (0.61) ALDH1A1CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL8867447 0.74 CALM1 (0.67) CALM1ALDH1A1CYP1A2CYP2D6CYP3A4
SCHEMBL3938308 0.74 CALM1 (0.67) CALM1CYP1A2CYP2D6CYP3A4MAPT
SCHEMBL1251843 0.74 KDM4E (0.77) CALM1CYP1A2CYP3A4MAPTATM
SCHEMBL11044914 0.74 CALM1 (0.67) CALM1CYP1A2CYP2D6CYP3A4MAPT
SCHEMBL5873476 0.74 CALM1 (0.67) CALM1CYP1A2CYP2D6CYP3A4MAPT
SCHEMBL29543507 0.74 KDM4E (0.77) CALM1CYP1A2CYP3A4MAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307193-A1 AGONISTS OF FOLLICLE STIMULATING HORMONE ACTIVITY Affymax Research Institute (US) 2003-05-07 EP disclosed
WO-2002009706-A1 AGONISTS OF FOLLICLE STIMULATING HORMONE ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2002-02-07 WO disclosed