SCHEMBL9352637

SCHEMBL9352637

CCCC(C(=O)O)C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.59
▸ SLC6A4 P31645 1/20 0.59
▸ SLC6A3 Q01959 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.51
▸ MAPK1 P28482 2/20 0.50
▸ GSK3B P49841 1/20 0.50
▸ CES1 P23141 2/20 0.49
▸ CES2 O00748 1/20 0.47
▸ SRD5A2 P31213 1/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ BCL9 O00512 1/20 0.44
▸ CTNNB1 P35222 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ NPC1 O15118 1/20 0.44

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
SCHEMBL10514853 0.94 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3TDP1MAPK1
SCHEMBL904579 0.87 TDP1 (0.55) SLC6A2SLC6A4SLC6A3TDP1MAPK1
SCHEMBL6700852 0.81 NPC1 (0.57) TDP1MAPK1GSK3BCES1CES2
SCHEMBL11161912 0.81 TDP1 (0.47) SLC6A2SLC6A4SLC6A3TDP1MAPK1
SCHEMBL6700854 0.81 NPC1 (0.57) TDP1MAPK1GSK3BCES1CES2
SCHEMBL28003628 0.80 TDP1 (0.50) SLC6A2SLC6A4SLC6A3TDP1MAPK1
SCHEMBL28078511 0.79 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3TDP1MAPK1
SCHEMBL9353004 0.78 SLC6A3 (0.54) SLC6A2SLC6A4SLC6A3GSK3BCES1
SCHEMBL517168 0.78 MDM2 (0.55) SLC6A2SLC6A3TDP1MAPK1GSK3B
SCHEMBL27811011 0.77 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412933-B1 Coating compositions CIBA GEIGY AG (CH) 1994-09-14 — — EP disclosed
US-5183842-A Mixture of ketoacid and amine with film-forming binder, curing CIBA-GEIGY CORPORATION (US) 1993-02-02 — — US disclosed
US-5128396-A Corrosion inhibiting primers on metallic substrates CIBA-GEIGY CORPORATION (US) 1992-07-07 — — US disclosed
EP-0412933-A1 Coating compositions CIBA-GEIGY AG (CH) 1991-02-13 — — EP disclosed
Send feedback