SCHEMBL11219987

SCHEMBL11219987

CCOCCOc1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPOX P50336 5/20 0.42
▸ HTR2C P28335 2/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 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
SCHEMBL11381647 0.89 PPOX (0.52) PPOXHTR2C
SCHEMBL10416244 0.83 GAA (0.49) PPOXKMT2AALDH1A1TSHR
SCHEMBL11199436 0.82 BRD4 (0.42) PPOXKMT2AALDH1A1
SCHEMBL11057702 0.82 PPOX (0.38) PPOXKMT2A
SCHEMBL11067532 0.81 PPOX (0.40) PPOX
SCHEMBL11013103 0.81 PPOX (0.38) PPOXHTR2C
SCHEMBL11058197 0.81 PPOX (0.39) PPOXHTR2C
SCHEMBL11213697 0.80 PPOX (0.38) PPOX
SCHEMBL11010704 0.79 RAD51 (0.46) PPOXALDH1A1TSHR
SCHEMBL10647332 0.79 CA9 (0.38) PPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57062256-A — — None — — JP disclosed
JP-S5762256-A TETRAHYDROPHTHALIMIDES AND HERBICIDE CONTAINING SAID COMPOUND AS ACTIVE COMPONENT MITSUBISHI CHEM IND LTD 1982-04-15 — — JP disclosed
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