SCHEMBL27587361

SCHEMBL27587361

CCCCC(Cl)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.56
▸ BCL9 O00512 1/20 0.56
▸ CTNNB1 P35222 1/20 0.56
▸ MAPT P10636 5/20 0.50
▸ CRHBP P24387 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ GAA P10253 2/20 0.48
▸ HTR2A P28223 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ FAAH O00519 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ PTPN7 P35236 1/20 0.42
▸ PTPN12 Q05209 1/20 0.42

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
SCHEMBL4854441 0.85 MGLL (0.58) MGLLBCL9CTNNB1MAPTCRHBP
SCHEMBL11063253 0.81 MGLL (0.61) MGLLBCL9CTNNB1MAPTCRHBP
SCHEMBL531154 0.81 MAPT (0.65) MGLLBCL9CTNNB1MAPTCRHBP
SCHEMBL11060689 0.81 MGLL (0.61) MGLLBCL9CTNNB1MAPTCRHBP
SCHEMBL29277468 0.81 MGLL (0.57) MGLLBCL9CTNNB1MAPTCRHBP
SCHEMBL11064813 0.81 MGLL (0.61) MGLLBCL9CTNNB1MAPTCRHBP
SCHEMBL60448 0.80 MGLL (0.60) MGLLBCL9CTNNB1MAPTCRHBP
SCHEMBL7073161 0.80 MGLL (0.60) MGLLBCL9CTNNB1MAPTCRHBP
SCHEMBL28120256 0.80 MGLL (0.56) MGLLBCL9CTNNB1MAPTCRHBP
SCHEMBL28063044 0.80 MGLL (0.60) MGLLBCL9CTNNB1MAPTCRHBP

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
CN-1398247-A Colchicol derivatives as vascular damaging agents ANGIOGENE PHARM LTD (GB) 2003-02-19 — — CN disclosed
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