SCHEMBL9050077

SCHEMBL9050077

C=CNC(=O)C(C)CCC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC7 Q8WUI4 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
HSD17B10 Q99714 3/20 0.40
MAPK1 P28482 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 2/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.34
CNR1 P21554 1/20 0.33

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
SCHEMBL5983449 0.85 CA1 (0.48) CA1
SCHEMBL5983238 0.85 CA1 (0.48) CA1
SCHEMBL788307 0.83
SCHEMBL19604113 0.80 CA1 (0.41) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL3049838 0.78
SCHEMBL6973252 0.76
SCHEMBL23179894 0.75 ALOX15 (0.33) HSD17B10LMNAMAPTTSHR
SCHEMBL19606359 0.73 TSHR (0.32) HSD17B10TSHR
SCHEMBL2554282 0.73 ECE1 (0.37) TSHR
SCHEMBL15314102 0.73

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-1996041834-A1 POLYMERS FOR USE AS HYDRATE INHIBITORS EXXON PRODUCTION RESEARCH COMPANY (US) 1996-12-27 WO disclosed