SCHEMBL8995787

SCHEMBL8995787

C[CH]C(C)Oc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
SIGMAR1 Q99720 3/20 0.38
P2RX3 P56373 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
ADRB2 P07550 1/20 0.37
SLC6A4 P31645 1/20 0.37
ALDH1A3 P47895 1/20 0.36
MAP4K4 O95819 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL97276 0.81 CYP1A2 (0.46) POLBCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL18321308 0.81 CYP1A2 (0.46) POLBCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL1454983 0.80 ACHE (0.42) POLBNPSR1PPARGPPARASLC6A4
SCHEMBL11515268 0.78 CYP1A2 (0.44) POLBCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL8923255 0.78 POLB (0.41) POLBCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL1454450 0.77 KDM4E (0.40) POLBCYP1A2CYP2C9CYP2C19GAA
SCHEMBL9482061 0.77 POLB (0.43) POLBCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL6556332 0.77 L3MBTL1 (0.53) POLBCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL104891 0.77 P2RX3 (0.54) POLBCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL8923706 0.75 PPARA (0.39) POLBCYP1A2CYP2C9CYP2C19L3MBTL1

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