SCHEMBL7936230

SCHEMBL7936230

CCC(=Cc1ccc([N+](=O)[O-])c(C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)O)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ RECQL P46063 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ POLB P06746 3/20 0.38
▸ FBP1 P09467 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ TBXAS1 P24557 2/20 0.37
▸ DTYMK P23919 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL275826 0.84 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2MEN1RECQL
SCHEMBL7820823 0.84 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2MEN1RECQL
SCHEMBL275825 0.84 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2MEN1RECQL
SCHEMBL12499863 0.77 ALDH1A1 (0.41) MAPTALDH1A1SMN1; SMN2MEN1RECQL
SCHEMBL12499859 0.77 ALDH1A1 (0.41) MAPTALDH1A1SMN1; SMN2MEN1RECQL
SCHEMBL12499866 0.77 ALDH1A1 (0.41) MAPTALDH1A1SMN1; SMN2MEN1RECQL
SCHEMBL3629745 0.74 GLO1 (0.61) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1613935 0.74 GLO1 (0.61) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3063302 0.74 GLO1 (0.61) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13370392 0.73 BCL9 (0.50) MAPTALDH1A1SMN1; SMN2MEN1RECQL

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-6303742-B1 CHARACTERIZED BY A CINNAMOYL GROUP OR A DERIVED CINNAMOYL GROUP INCORPORATED THEREIN AND BY PHOTO-REACTIVITY AND HEAT-REACTIVITY WHICH ARE INHERENT IN THE CINNAMOYL GROUP. KANEKAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2001-10-16 — — US disclosed
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