SCHEMBL9516631

SCHEMBL9516631

CC/C(=C\C=C\C1CC1c1ccc(Br)cc1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.35
MAOB P27338 3/20 0.35
KCNH2 Q12809 2/20 0.35
RCOR1 Q9UKL0 2/20 0.35
KDM1B Q8NB78 1/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
RORC P51449 1/20 0.34
MAOA P21397 1/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
SLC6A2 P23975 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL9580503 0.82 SLC6A3 (0.39) SLC6A4SLC6A3SLC6A2
SCHEMBL9516646 0.74 MAPT (0.39) SLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL9516640 0.74 MAPT (0.39) SLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL25172930 0.74 KDM1A (0.43) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL25172931 0.74 KDM1A (0.43) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL9518891 0.73 KDM1A (0.39) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL25456771 0.72 LMNA (0.40) SLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL9515693 0.70 PRCP (0.36) KDM1AMAOBKCNH2MAOASLC6A4
SCHEMBL9515697 0.70 PRCP (0.36) KDM1AMAOBKCNH2MAOASLC6A4
SCHEMBL9516882 0.70 PRCP (0.36) KDM1AMAOBKCNH2MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369762-B1 Pesticides ROUSSEL UCLAF (FR) 1993-12-29 EP disclosed
EP-0369762-A1 Pesticides ROUSSEL-UCLAF (FR) 1990-05-23 EP disclosed