SCHEMBL6989302

SCHEMBL6989302

CCOC(=O)NCCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.58
GLA P06280 1/20 0.53
KMT2A Q03164 1/20 0.53
TRPV1 Q8NER1 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
GLS O94925 2/20 0.50
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
CHRM2 P08172 1/20 0.48

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
SCHEMBL6485205 0.87 CNR1 (0.55) CNR1TRPV1PPARGPPARACHRM2
SCHEMBL792125 0.84 GLA (0.70) CNR1GLAKMT2AHDAC3HDAC4
SCHEMBL793534 0.84 GLA (0.70) GLAKMT2ATRPV1HDAC3HDAC4
SCHEMBL27422506 0.82 CNR1 (0.67) CNR1TRPV1GLSCHRM2CHRM1
SCHEMBL798802 0.82 THRB (0.60) CNR1GLAKMT2ATRPV1HDAC3
SCHEMBL7643257 0.82 CNR1 (0.63) CNR1TRPV1CHRM2CHRM1CHRM3
SCHEMBL3939774 0.81 PPARA (0.51) CNR1PPARGPPARACHRM2CHRM1
SCHEMBL27087783 0.80 HDAC3 (0.56) CNR1GLAKMT2AHDAC3HDAC4
SCHEMBL15466955 0.80 HDAC3 (0.59) CNR1GLAKMT2AHDAC3HDAC4
SCHEMBL12885093 0.79 SPR (0.62) GLAKMT2AHDAC3HDAC4HDAC1

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