SCHEMBL4060686

SCHEMBL4060686

COc1cc(OC)c(C(C)C)cc1-c1ccc(F)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
P2RX3 P56373 1/20 0.44
P2RX2 Q9UBL9 1/20 0.44
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
DHODH Q02127 1/20 0.38
KCNH2 Q12809 1/20 0.37
S1PR1 P21453 1/20 0.37
CTSA P10619 3/20 0.36
CETP P11597 2/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4061577 0.84 P2RX3 (0.48) POLBGAAGFERP2RX3P2RX2
SCHEMBL4068134 0.82 P2RX3 (0.42) POLBGAAGFERP2RX3P2RX2
SCHEMBL4061598 0.80 P2RX3 (0.62) POLBGAAGFERP2RX3P2RX2
SCHEMBL10094444 0.75 LMNA (0.39) LMNADHODH
SCHEMBL18069700 0.75 LMNA (0.45) POLBGAAGFERLMNAMAPT
SCHEMBL4061388 0.75 P2RX3 (0.46) POLBGAAGFERP2RX3P2RX2
SCHEMBL8119851 0.75 NFE2L2 (0.43) POLBGAAGFERP2RX3P2RX2
SCHEMBL765434 0.75 GAA (0.43) POLBGAAGFERP2RX3P2RX2
SCHEMBL3377666 0.74 CETP (0.56) CETP
SCHEMBL13848448 0.74 ALDH1A1 (0.48) POLBGAALMNAMAPTHSD17B10

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
WO-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 WO disclosed
WO-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 WO disclosed