SCHEMBL8957191

SCHEMBL8957191

CCOC(=O)c1conc1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAOB P27338 1/20 0.36
IGF1R P08069 1/20 0.36
IDO1 P14902 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
SCHEMBL8957137 0.81 KDM4E (0.46) MAPK1TSHRKDM4EMAPTALDH1A1
SCHEMBL8957159 0.80 TSHR (0.44) MAPK1TSHRKDM4EMAPTALDH1A1
SCHEMBL7948540 0.78 GAA (0.42) TSHRKDM4EALDH1A1HSD17B10GAA
SCHEMBL5410864 0.76 TSHR (0.50) MAPK1TSHRKDM4EMAPTALDH1A1
SCHEMBL22213857 0.76 KDM4E (0.46) MAPK1TSHRKDM4EMAPTALDH1A1
SCHEMBL22439682 0.75 TSHR (0.40) MAPK1TSHRCRHBPCRHR2KDM4E
SCHEMBL26921777 0.75 ALDH1A1 (0.39) TSHRKDM4EMAPTALDH1A1CYP2C9
SCHEMBL8957258 0.75 DPP4 (0.38) MAPK1TSHRKDM4EALDH1A1MEN1
SCHEMBL22213860 0.75 KDM4E (0.45) MAPK1TSHRKDM4EMAPTALDH1A1
SCHEMBL23991169 0.74 CA12 (0.49) MAPK1TSHRKDM4EALDH1A1MEN1

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
US-5576270-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-19 US disclosed