SCHEMBL3238657

SCHEMBL3238657

c1ccc(Oc2cccc(COc3ccc(-c4ccccc4)cn3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.46
ACACA Q13085 2/20 0.46
ALKBH1 Q13686 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
FFAR1 O14842 6/20 0.46
FFAR4 Q5NUL3 3/20 0.46
MRGPRX4 Q96LA9 2/20 0.43
NR4A2 P43354 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
MCL1 Q07820 1/20 0.42
GPR84 Q9NQS5 1/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL3238335 0.90 MAOB (0.48) LOXL2FFAR1FFAR4HSD17B1HSD17B2
SCHEMBL3238025 0.85 FFAR1 (0.44) ACACBACACAALKBH1LOXL2FFAR1
SCHEMBL3240292 0.84 MAOB (0.46) ACACBACACAALKBH1LOXL2FFAR1
SCHEMBL24156267 0.80 MEN1 (0.55) ACACBACACALOXL2FFAR1GPR84
SCHEMBL9491438 0.77 FFAR1 (0.68) FFAR1FFAR4
SCHEMBL31334070 0.76 GABRA5 (0.67) LOXL2FFAR1HSD17B1HSD17B2
SCHEMBL13356345 0.74 FFAR1 (0.38) ACACBACACAALKBH1FFAR1FFAR4
SCHEMBL3270680 0.73 FFAR1 (0.44) ALKBH1FFAR1FFAR4
SCHEMBL6030735 0.71 MAP4K4 (0.62) ACACBACACAALKBH1LOXL2MRGPRX4
SCHEMBL2039476 0.71 LOXL2 (0.48) ACACBACACALOXL2FFAR1MCL1

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
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO claimed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed