SCHEMBL9876853

SCHEMBL9876853

COc1ccc(Cl)cc1OCCCl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 3/20 0.45
DRD4 P21917 2/20 0.44
DRD2 P14416 1/20 0.44
TTR P02766 1/20 0.44
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 2/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TRPV4 Q9HBA0 1/20 0.43
CYP1A2 P05177 1/20 0.43
SLC6A4 P31645 3/20 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
SCHEMBL24306566 0.85 L3MBTL1 (0.50) S1PR4MAPTL3MBTL1MEN1KMT2A
SCHEMBL4086718 0.85 MAPT (0.51) S1PR4TTRMAPTL3MBTL1ALDH1A1
SCHEMBL24305898 0.81 SMPD1 (0.56) MEN1KMT2A
SCHEMBL7482184 0.80 FFAR1 (0.47) DRD4MAPTL3MBTL1HPGDMAPK1
SCHEMBL128179 0.80 MAPT (0.43) MAPTL3MBTL1ALDH1A1CYP2C19MEN1
SCHEMBL986332 0.80 MAPT (0.54) DRD4MAPTL3MBTL1ALDH1A1CYP2C19
SCHEMBL2127233 0.80 TRPV4 (0.55) TTRMAPTALDH1A1CYP2C19MEN1
SCHEMBL29636402 0.80 TRPV4 (0.55) TTRMAPTALDH1A1CYP2C19MEN1
SCHEMBL7173051 0.79 FDPS (0.43) MAPTL3MBTL1ALDH1A1CYP2C19MEN1
SCHEMBL5825119 0.79 S1PR4 (0.56) S1PR4MAPTALDH1A1CYP2C19HPGD

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-5071860-A INSECTICIDALLY ACTIVE SUBSTITUTED HETEROARYL PHENYL ETHERS BAYER AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed