SCHEMBL13257582

SCHEMBL13257582

COc1cc(CNC(=O)CCc2ccccc2)cc(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.65
▸ TACR1 P25103 1/20 0.65
▸ GAA P10253 2/20 0.64
▸ POLB P06746 1/20 0.60
▸ TSHR P16473 1/20 0.59
▸ ERCC1 P07992 1/20 0.58
▸ ERCC4 Q92889 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ NPC1 O15118 1/20 0.56

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
SCHEMBL18435552 0.87 ALDH1A1 (0.84) ALDH1A1GAAPOLBTSHRRAB9A
SCHEMBL7293721 0.87 ALDH1A1 (0.84) ALDH1A1GAAPOLBTSHRRAB9A
SCHEMBL1661081 0.81 TRPV1 (0.76) ALDH1A1GAAERCC1ERCC4L3MBTL1
SCHEMBL17335487 0.81 KMT2A (0.70) ALDH1A1ERCC1ERCC4
SCHEMBL9114227 0.80 TACR1 (0.61) TACR1GAAPOLBRAB9A
SCHEMBL1565778 0.79 MMP13 (0.69) ALDH1A1L3MBTL1NPC1
SCHEMBL31329317 0.79 ALDH1A1 (1.00) ALDH1A1GAATSHRNPC1
SCHEMBL28732580 0.78 ALDH1A1 (0.92) ALDH1A1TSHRNPC1
SCHEMBL1535771 0.78 MMP13 (0.67) ALDH1A1TACR1ERCC1ERCC4RAB9A
SCHEMBL9117035 0.78 MTNR1A (0.65) ALDH1A1TACR1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010088450-A2 METHODS FOR TREATING DISEASES ASSOCIATED WITH THE MODULATION OF SERCA CELLADON CORPORATION (US) 2010-08-05 — — WO disclosed
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