SCHEMBL9558012

SCHEMBL9558012

CCOc1ccc(C2(CCCc3ccc(F)c(Oc4ccc(F)cc4)c3)CC2(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.39
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR5 Q9H1C0 2/20 0.33
MAPT P10636 4/20 0.33
SSTR5 P35346 2/20 0.32
CACNA1B Q00975 2/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL9558426 0.93 LTA4H (0.39) CACNA1CTDP1SLC6A2SLC6A4SLC6A3
SCHEMBL10813619 0.87 LPAR1 (0.39) KMT2ASLC6A4LPAR1LPAR5
SCHEMBL9558615 0.85 CACNA1C (0.40) CACNA1CPOLBKMT2AL3MBTL1TDP1
SCHEMBL9558201 0.85 LTA4H (0.39) CACNA1CTDP1SLC6A2SLC6A4SLC6A3
SCHEMBL9558755 0.84 FDFT1 (0.41) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL10809728 0.83 L3MBTL1 (0.34) POLBL3MBTL1SLC6A4LPAR1LPAR5
SCHEMBL10808624 0.82 LPAR1 (0.39) LPAR1LPAR5HTTALDH1A1
SCHEMBL10811296 0.80 LPAR1 (0.34) L3MBTL1CYP1A2CYP2C19LPAR1LPAR5
SCHEMBL9558479 0.80 HTR2A (0.38) SLC6A2SLC6A4SLC6A3LPAR1LPAR5
SCHEMBL9558575 0.78 LTA4H (0.41) CACNA1CTDP1SLC6A2SLC6A4SLC6A3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257415-B1 INSECTICIDAL RESIN COATING FILM MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-03-31 EP disclosed
US-4997650-A (Meth)acrylonitrile polymer MITSUI TOATSU CHEMICALS, INC. (JP) 1991-03-05 US disclosed
US-4818525-A LONG-LASTING; ACRYLONITRILE COPOLYMER MITSUI TOATSU CHEMICALS, INC. (JP) 1989-04-04 US disclosed
EP-0257415-A1 Insecticidal resin coating film MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-03-02 EP disclosed