SCHEMBL8995789

SCHEMBL8995789

[CH2]C(CC)Oc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.40
PPARG P37231 9/20 0.40
POLB P06746 1/20 0.40
SLC6A4 P31645 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
P2RX3 P56373 1/20 0.37
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR55 Q9Y2T6 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
SCHEMBL8887015 0.84 PPARA (0.41) PPARAPPARGPOLBSLC6A4L3MBTL1
SCHEMBL8923714 0.81 PPARA (0.42) PPARAPPARGPOLBSLC6A4L3MBTL1
SCHEMBL8886735 0.81 ACHE (0.41) PPARAPPARGPOLBTSHRNPSR1
SCHEMBL8886871 0.79 LDHA (0.42) PPARAPPARGSLC6A4L3MBTL1GAA
SCHEMBL8890078 0.79 ALDH1A1 (0.40) PPARAPPARGSLC6A4L3MBTL1CYP1A2
SCHEMBL28306045 0.79 LTA4H (0.44) CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25331886 0.78 SLC6A4 (0.39) PPARAPPARGSLC6A4TSHR
SCHEMBL3468664 0.78 SLC6A4 (0.39) PPARAPPARGSLC6A4TSHR
SCHEMBL19088418 0.78 L3MBTL1 (0.44) PPARAPPARGPOLBSLC6A4L3MBTL1
SCHEMBL13123958 0.77 PPARA (0.41) PPARAPPARGPOLBSLC6A4L3MBTL1

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-5523462-A HERBICIDES; PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1996-06-04 US disclosed