SCHEMBL14437121

SCHEMBL14437121

CCN(CC)c1ccc2c(-c3ccccc3)cc(=O)oc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.64
▸ HPGD P15428 6/20 0.64
▸ GLA P06280 4/20 0.64
▸ L3MBTL1 Q9Y468 3/20 0.64
▸ IGLV6-57 P01721 3/20 0.64
▸ ATM Q13315 3/20 0.64
▸ CYP3A4 P08684 2/20 0.64
▸ MAPK1 P28482 2/20 0.64
▸ CASP1 P29466 2/20 0.64
▸ CASP7 P55210 2/20 0.64
▸ HSD17B10 Q99714 2/20 0.64
▸ HIF1A Q16665 1/20 0.64
▸ KDM4E B2RXH2 5/20 0.63
▸ MEN1 O00255 4/20 0.63
▸ KMT2A Q03164 4/20 0.63
▸ MAPT P10636 3/20 0.63
▸ TDP1 Q9NUW8 3/20 0.63
▸ CYP1A2 P05177 1/20 0.63
▸ CYP2D6 P10635 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63

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
SCHEMBL2687253 0.89 ALDH1A1 (0.55) ALDH1A1HPGDGLAL3MBTL1IGLV6-57
SCHEMBL2687125 0.87 ALDH1A1 (0.61) ALDH1A1HPGDGLAL3MBTL1IGLV6-57
SCHEMBL3751339 0.86 ALDH1A1 (0.60) ALDH1A1HPGDGLAL3MBTL1IGLV6-57
SCHEMBL16098422 0.85 NOD2 (0.64) ALDH1A1HPGDGLAL3MBTL1IGLV6-57
SCHEMBL14111529 0.85 CA9 (0.62) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL3761535 0.83 ALDH1A1 (0.56) ALDH1A1HPGDGLAL3MBTL1IGLV6-57
SCHEMBL384286 0.79 ALDH1A1 (1.00) ALDH1A1HPGDGLAL3MBTL1IGLV6-57
SCHEMBL29362472 0.79 ALDH1A1 (1.00) ALDH1A1HPGDGLAL3MBTL1IGLV6-57
SCHEMBL6690441 0.79 ALDH1A1 (0.73) ALDH1A1HPGDGLAL3MBTL1IGLV6-57
SCHEMBL67108 0.79 ALDH1A1 (1.00) ALDH1A1HPGDGLAL3MBTL1IGLV6-57

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-20070184386-A1 Optical recording material and optical recording medium MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-09 — — US disclosed
US-20070184386-A1 Optical recording material and optical recording medium MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-09 — — US disclosed
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