SCHEMBL9558587

SCHEMBL9558587

CC(C)(C)COCc1cccc(Oc2ccc(F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.41
FDFT1 P37268 1/20 0.40
MPO P05164 1/20 0.40
CETP P11597 1/20 0.39
MAOB P27338 2/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
CACNA1B Q00975 1/20 0.39
FFAR1 O14842 3/20 0.39
MMP13 P45452 1/20 0.38
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
AGXT P21549 1/20 0.37
LTA4H P09960 1/20 0.37
EPHX2 P34913 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL3156299 0.89 IDO1 (0.43) FFAR4CETPMAOBKDM4ESMN1; SMN2
SCHEMBL10855026 0.89 NPC1 (0.43) FFAR4FDFT1MPOCETPMAOB
SCHEMBL9559057 0.88 KDM4E (0.46) FFAR4CETPKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9558487 0.87 SMN1; SMN2 (0.52) MAOBKDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL10853088 0.87 NPC1 (0.41) FFAR4CETPKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10359605 0.87 FFAR4 (0.41) FFAR4FDFT1MPOCETPMAOB
SCHEMBL27267314 0.86 FFAR4 (0.46) FFAR4FDFT1MPOCETPMAOB
SCHEMBL10857796 0.85 FDFT1 (0.42) FFAR4FDFT1MPOCETPMAOB
SCHEMBL10808432 0.85 FFAR4 (0.44) FFAR4FDFT1MPOCETPMAOB
SCHEMBL10856771 0.85 NPC1 (0.42) FFAR4CETPKDM4ESMN1; SMN2ALDH1A1

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 3 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
EP-0257415-A1 Insecticidal resin coating film MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-03-02 EP disclosed