SCHEMBL18124155

SCHEMBL18124155

CCCCC(Br)CCCCCCCC(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 2/20 0.49
CYP3A4 P08684 1/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PPARG P37231 2/20 0.47
LMNA P02545 3/20 0.46
EPHX2 P34913 1/20 0.45
POLB P06746 1/20 0.45
POLA1 P09884 1/20 0.45
ALDH1A1 P00352 1/20 0.44
DGKA P23743 1/20 0.44
PPARA Q07869 1/20 0.44
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
LCK P06239 1/20 0.43
PPARD Q03181 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43

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
SCHEMBL1040363 0.98 TSHR (0.50) ZDHHC7L3MBTL1TSHRCYP3A4ATM
SCHEMBL11456570 0.96 ZDHHC7 (0.56) ZDHHC7L3MBTL1TSHRPPARGLMNA
SCHEMBL9860092 0.96 ZDHHC7 (0.56) ZDHHC7L3MBTL1TSHRPPARGLMNA
SCHEMBL10690002 0.91 TSHR (0.50) ZDHHC7L3MBTL1TSHRCYP3A4ATM
SCHEMBL1800630 0.87 L3MBTL1 (0.51) ZDHHC7L3MBTL1TSHRCYP3A4ATM
SCHEMBL9396622 0.85 TSHR (0.52) ZDHHC7L3MBTL1TSHRCYP3A4ATM
SCHEMBL20398910 0.84 TSHR (0.56) ZDHHC7TSHRCYP3A4ATMTDP1
SCHEMBL26699402 0.84 LMNA (0.52) ZDHHC7L3MBTL1TSHRCYP3A4ATM
SCHEMBL4809286 0.83 ZDHHC7 (0.57) ZDHHC7L3MBTL1TSHRPPARGLMNA
SCHEMBL5052870 0.83 ZDHHC7 (0.57) ZDHHC7L3MBTL1TSHRPPARGLMNA

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-2016156816-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2016-10-06 WO disclosed