SCHEMBL13680830

SCHEMBL13680830

O=CCCc1cccc(-c2ccc(C(=O)O)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.44
RARB P10826 1/20 0.44
CHEK1 O14757 2/20 0.41
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 3/20 0.40
CAMK2D Q13557 2/20 0.40
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RARG P13631 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
MAPK8 P45983 1/20 0.38
PIK3CG P48736 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL13680825 0.89 MAPT (0.41) RARARARBSMN1; SMN2ALDH1A1POLB
SCHEMBL13680835 0.87 MAP4K4 (0.42) RAB9ANPC1MAPK8PIK3CGGSK3B
SCHEMBL3854280 0.85 MEN1 (0.50) RAB9AALDH1A1PDE10A
SCHEMBL13680828 0.84 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL13680836 0.84 NPC1 (0.44) RAB9ANPC1SMN1; SMN2
SCHEMBL13680837 0.84 ALDH1A1 (0.40) KDM4EALDH1A1TP53
SCHEMBL13680834 0.81 PDE10A (0.39) RAB9ASMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL13680827 0.80 KMT2A (0.50) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL13680840 0.80 RAB9A (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL6200651 0.79 RAB9A (0.51) RARARARBCHEK1RAB9ANPC1

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed