SCHEMBL20103345

SCHEMBL20103345

CCOC(=O)C1CC=C(c2cc(O)ccc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.49
CCNT1 O60563 1/20 0.49
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 3/20 0.39
MAPK1 P28482 2/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
ALOX5 P09917 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL20103395 0.87 ALDH1A1 (0.47) CDK9CCNT1ALDH1A1KDM4ETDP1
SCHEMBL20103466 0.86 CDK9 (0.46) CDK9CCNT1ALDH1A1KDM4ETDP1
SCHEMBL18866816 0.81 CDK9 (0.66) CDK9CCNT1ALDH1A1KDM4ETDP1
SCHEMBL18866865 0.80 CDK9 (0.46) CDK9CCNT1ALDH1A1KDM4ETDP1
SCHEMBL2510864 0.78 KDM4E (0.51) CDK9CCNT1ALDH1A1KDM4ETDP1
SCHEMBL1506660 0.78 CDK9 (0.44) CDK9CCNT1ALDH1A1KDM4ETDP1
SCHEMBL2510863 0.78 KDM4E (0.51) CDK9CCNT1ALDH1A1KDM4ETDP1
SCHEMBL20103303 0.78 CDK9 (0.47) CDK9CCNT1ALDH1A1KDM4ETDP1
SCHEMBL2511600 0.78 CDK9 (0.52) CDK9CCNT1ALDH1A1KDM4ETDP1
SCHEMBL2511601 0.78 CDK9 (0.52) CDK9CCNT1ALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018081047-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed