SCHEMBL9580870

SCHEMBL9580870

CC(C)C(C)NC(=O)C=CC=C[C@@H]1C[C@H]1c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.37
KDM1A O60341 5/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
MAOA P21397 4/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FFAR1 O14842 1/20 0.32

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
SCHEMBL9580871 1.00 TAAR1 (0.37) TAAR1KDM1AALDH1A1CYP1A2CYP3A4
SCHEMBL9580869 1.00 TAAR1 (0.37) TAAR1KDM1AALDH1A1CYP1A2CYP3A4
SCHEMBL9515697 0.83 PRCP (0.36) KDM1ALMNAMAOA
SCHEMBL9516882 0.83 PRCP (0.36) KDM1ALMNAMAOA
SCHEMBL9515693 0.83 PRCP (0.36) KDM1ALMNAMAOA
SCHEMBL9515207 0.81 SLC6A2 (0.38)
SCHEMBL9515199 0.81 SLC6A2 (0.38)
SCHEMBL9580644 0.81 SLC6A2 (0.38)
SCHEMBL9515751 0.81 RECQL (0.30)
SCHEMBL9515756 0.81 RECQL (0.30)

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-5202356-A Insecticides, miticides THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-13 US disclosed