SCHEMBL7780490

SCHEMBL7780490

CCN(C)c1ccc(C(c2ccc(N(C)CC)cc2)c2ccc(N(C)C)cc2C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
GAA P10253 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
SLC16A3 O15427 2/20 0.37
KDM4E B2RXH2 3/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34

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
SCHEMBL7778136 0.89 ALDH1A1 (0.44) ALDH1A1GAATDP1KMT2AL3MBTL1
SCHEMBL7778141 0.89 ALDH1A1 (0.45) ALDH1A1GAATDP1KMT2AL3MBTL1
SCHEMBL10999527 0.88 ALDH1A1 (0.43) ALDH1A1GAATDP1KMT2AL3MBTL1
SCHEMBL8324518 0.86 L3MBTL1 (0.44) ALDH1A1GAATDP1KMT2AL3MBTL1
SCHEMBL7778133 0.85 ALDH1A1 (0.43) ALDH1A1GAATDP1KMT2AL3MBTL1
SCHEMBL7778519 0.84 CNR2 (0.43) ALDH1A1GAATDP1KMT2AL3MBTL1
SCHEMBL7781188 0.83 ALDH1A1 (0.37) ALDH1A1GAATDP1KMT2AL3MBTL1
SCHEMBL7780614 0.82 ALDH1A1 (0.40) ALDH1A1GAATDP1KMT2AL3MBTL1
SCHEMBL7780452 0.82 GAA (0.46) ALDH1A1GAATDP1KMT2AL3MBTL1
SCHEMBL7778164 0.82 ALDH1A1 (0.48) ALDH1A1GAATDP1KMT2AL3MBTL1

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-0885892-B1 Preparation process of phthalide compound MITSUI CHEMICALS INC (JP) 2001-09-19 EP disclosed
US-5973168-A Preparation process of phthalide compound MITSUI CHEMICALS, INC. (JP) 1999-10-26 US disclosed
EP-0885892-A1 Preparation process of phthalide compound Mitsui Chemicals, Inc. (JP) 1998-12-23 EP disclosed