SCHEMBL7900944

SCHEMBL7900944

CCC(C#N)(C(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.47
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.39
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
PTPN5 P54829 1/20 0.38
CTSB P07858 2/20 0.37
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
KDM4E B2RXH2 1/20 0.37
AGTR1 P30556 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL701485 0.90 ALDH1A1 (0.41) MAPTL3MBTL1ALDH1A1
SCHEMBL27560876 0.78 MAPT (0.40) MAPTL3MBTL1ALDH1A1HDAC3HDAC1
SCHEMBL32691849 0.77 ALDH1A1 (0.50) MAPTL3MBTL1ALDH1A1KDM4EHDAC3
SCHEMBL10635869 0.77 MAPT (0.40) MAPTL3MBTL1ALDH1A1
SCHEMBL10636185 0.77 MAPT (0.40) MAPTL3MBTL1ALDH1A1
SCHEMBL10988395 0.77 MAPT (0.40) MAPTL3MBTL1ALDH1A1RAB9A
SCHEMBL119698 0.77 MAPT (0.47) MAPTALDH1A1KDM4E
SCHEMBL22722994 0.76 CYP2C9 (0.58) CYP2C9MAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL22722995 0.76 CYP2C9 (0.58) CYP2C9MAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL1151512 0.74 L3MBTL1 (0.37) MAPTSMN1; SMN2L3MBTL1HPGDALDH1A1

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
US-6190841-B1 ACID GENERATOR WHICH GENERATES AN ACID WHEN IRRADIATED WITH ACTINIC RADIATION, AND COMPOUND CONTAINING CARBOXYL GROUPS, WHICH CAN DECOMPOSE UPON DECARBOXYLATION KABUSHIKI KAISHA TOSHIBA (JP) 2001-02-20 US disclosed