SCHEMBL4752230

SCHEMBL4752230

Cc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)C=Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
ADAM17 P78536 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOB P27338 3/20 0.42
GLA P06280 2/20 0.42
BACE1 P56817 1/20 0.40
UTS2R Q9UKP6 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38

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
SCHEMBL4668532 1.00 HDAC1 (0.44) HDAC1HDAC3HDAC6ADAM17HDAC2
SCHEMBL4017819 0.90 MEN1 (0.47) HDAC1HDAC3HDAC6HDAC2HDAC10
SCHEMBL4017820 0.89 MAPT (0.50) MEN1KMT2ASMN1; SMN2CYP1A2MAPT
SCHEMBL4014345 0.89 MMP1 (0.48) MEN1KMT2AMAOBBACE1
SCHEMBL4017823 0.89 MAPT (0.50) MEN1KMT2ASMN1; SMN2CYP1A2MAPT
SCHEMBL4668491 0.89 KDM4E (0.48) MEN1KMT2AMAOBMAPT
SCHEMBL4752607 0.89 KDM4E (0.48) MEN1KMT2AMAOBMAPT
SCHEMBL4787699 0.88 MEN1 (0.43) HDAC1HDAC3HDAC6HDAC2HDAC10
SCHEMBL4787691 0.88 MEN1 (0.43) HDAC1HDAC3HDAC6HDAC2HDAC10
SCHEMBL4787706 0.88 MEN1 (0.43) HDAC1HDAC3HDAC6HDAC2HDAC10

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
WO-2008152097-A1 CINNAMIC ACID DERIVATIVES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO claimed
WO-2008152097-A1 CINNAMIC ACID DERIVATIVES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO disclosed