SCHEMBL29420682

SCHEMBL29420682

CCCC1(CCC)c2ccccc2-c2ccc(C(=O)C(=NO)c3ccccc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.43
▸ PDK2 Q15119 17/20 0.38
▸ GAA P10253 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PGR P06401 1/20 0.33

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
SCHEMBL18838968 1.00 APEX1 (0.43) APEX1PDK2GAACYP2C19PGR
SCHEMBL18812921 1.00 APEX1 (0.43) APEX1PDK2GAACYP2C19PGR
SCHEMBL18812920 1.00 APEX1 (0.43) APEX1PDK2GAACYP2C19PGR
SCHEMBL18812934 0.86 APEX1 (0.36) APEX1PDK2PGR
SCHEMBL18838856 0.86 APEX1 (0.36) APEX1PDK2PGR
SCHEMBL18812932 0.86 APEX1 (0.36) APEX1PDK2PGR
SCHEMBL29368666 0.86 APEX1 (0.36) APEX1PDK2PGR
SCHEMBL18123000 0.85 APEX1 (0.39) APEX1PDK2
SCHEMBL21025425 0.82 PDK2 (0.56) APEX1PDK2
SCHEMBL18682531 0.80 APEX1 (0.43) APEX1PDK2PGR

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-106371287-B Colored photosensitive composition 东京应化工业株式会社 2022-02-11 — — CN disclosed
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