SCHEMBL10548124

SCHEMBL10548124

CCOc1ccc(C(C)(CC)CCCc2cccc(Oc3ccc(F)cc3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 4/20 0.42
LTA4H P09960 1/20 0.40
CACNA1B Q00975 1/20 0.39
CETP P11597 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK1 P28482 1/20 0.37
PPARA Q07869 6/20 0.37
PPARD Q03181 4/20 0.37
PPARG P37231 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL10547255 0.94 LTA4H (0.44) FDFT1LTA4HCETPNPC1POLB
SCHEMBL9557911 0.94 FDFT1 (0.46) FDFT1CACNA1BCETPNPC1POLB
SCHEMBL10547619 0.92 LTA4H (0.49) FDFT1LTA4HCETPNPC1POLB
SCHEMBL9557918 0.89 ALDH1A1 (0.43) FDFT1NPC1POLBCYP2C9RAB9A
SCHEMBL10547864 0.89 ALDH1A1 (0.43) FDFT1LTA4HCETPNPC1POLB
SCHEMBL10543082 0.89 FDFT1 (0.42) FDFT1CACNA1BCETPNPC1POLB
SCHEMBL9558315 0.89 FDFT1 (0.43) FDFT1LTA4HCACNA1BCETPNPC1
SCHEMBL9557715 0.87 FDFT1 (0.43) FDFT1CETPNPC1POLBCYP2C9
SCHEMBL10543335 0.87 FDFT1 (0.42) FDFT1CACNA1BNPC1POLBCYP2C9
SCHEMBL10544536 0.86 FDFT1 (0.46) FDFT1NPC1POLBCYP2C9RAB9A

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
US-4814340-A 1,4-diaryl alkane derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1989-03-21 US disclosed
US-4661501-A Certain aryl-alkane-2-pyridyloxy-phenyl derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1987-04-28 US disclosed