SCHEMBL6985208

SCHEMBL6985208

CCOc1ccc(CCS)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 3/20 0.67
KDM4E B2RXH2 2/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 1/20 0.53
ATM Q13315 2/20 0.51
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CA2 P00918 1/20 0.48
MAPK1 P28482 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47

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
SCHEMBL6891346 0.87 ATM (0.66) KDM4EMAPTATMPOLBCYP19A1
SCHEMBL680660 0.86 CALM1 (0.71) CALM1KDM4EGAAMAPTATM
SCHEMBL6986223 0.85 ATM (0.63) KDM4EMAPTATMPOLBCYP19A1
SCHEMBL1251843 0.83 KDM4E (0.77) CALM1KDM4EGAAMAPTATM
SCHEMBL8867447 0.83 CALM1 (0.67) CALM1KDM4EGAAMAPTATM
SCHEMBL3938308 0.83 CALM1 (0.67) CALM1KDM4EGAAMAPTATM
SCHEMBL5873476 0.83 CALM1 (0.67) CALM1KDM4EGAAMAPTATM
SCHEMBL29543507 0.83 KDM4E (0.77) CALM1KDM4EGAAMAPTATM
SCHEMBL11044914 0.83 CALM1 (0.67) CALM1KDM4EGAAMAPTATM
SCHEMBL8295694 0.83 CALM1 (0.67) CALM1KDM4EGAAMAPTATM

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