SCHEMBL9516640

SCHEMBL9516640

CCOC(=O)C=CC=C[C@@H]1C[C@H]1c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 4/20 0.38
HTT P42858 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 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
SCHEMBL9516646 1.00 MAPT (0.39) MAPTALDH1A1LMNAHTTNPSR1
SCHEMBL25456771 0.91 LMNA (0.40) MAPTALDH1A1LMNAHTTNPSR1
SCHEMBL9580509 0.83 SLC6A3 (0.46) L3MBTL1TDP1SLC6A3SLC6A4
SCHEMBL9580506 0.83 SLC6A3 (0.46) L3MBTL1TDP1SLC6A3SLC6A4
SCHEMBL9580554 0.76 ALDH1A1 (0.41) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL9516631 0.74 KDM1A (0.35) ALDH1A1SLC6A3SLC6A2SLC6A4
SCHEMBL9518943 0.73 SLC6A3 (0.48) MAPTHTTMAPK1L3MBTL1TDP1
SCHEMBL9518954 0.73 SLC6A3 (0.48) MAPTHTTMAPK1L3MBTL1TDP1
SCHEMBL9515693 0.73 PRCP (0.36) LMNASLC6A3SLC6A2SLC6A4
SCHEMBL9515697 0.73 PRCP (0.36) LMNASLC6A3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369762-B1 Pesticides ROUSSEL UCLAF (FR) 1993-12-29 EP disclosed
US-5202356-A Insecticides, miticides THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-13 US disclosed
EP-0369762-A1 Pesticides ROUSSEL-UCLAF (FR) 1990-05-23 EP disclosed