SCHEMBL30529729

SCHEMBL30529729

CCCC1(CCC)c2ccccc2-c2ccc(C(=O)c3ccccc3F)cc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 14/20 0.41
▸ APEX1 P27695 1/20 0.40
▸ CNR2 P34972 1/20 0.36
▸ ABCC9 O60706 1/20 0.36
▸ ABCC8 Q09428 1/20 0.36
▸ KCNJ11 Q14654 1/20 0.36
▸ KCNJ8 Q15842 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL29080823 1.00 PDK2 (0.41) PDK2APEX1CNR2ABCC9ABCC8
SCHEMBL17084351 0.86 ALDH1A1 (0.42) PDK2APEX1
SCHEMBL30529689 0.83 PDK2 (0.35) PDK2APEX1
SCHEMBL17084377 0.83 CNR2 (0.47) CNR2
SCHEMBL21025425 0.83 PDK2 (0.56) PDK2APEX1CNR2
SCHEMBL17084359 0.80 PDK2 (0.56) PDK2APEX1
SCHEMBL12856595 0.80 PDK2 (0.48) PDK2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL21168758 0.80 PDK2 (0.41) PDK2APEX1CNR2
SCHEMBL17084352 0.78 PDK2 (0.42) PDK2POLBKMT2A
SCHEMBL30266914 0.78 PDK2 (0.42) PDK2POLBKMT2A

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-109471330-B Photosensitive composition and photopolymerization initiator used therein 东京应化工业株式会社 2023-08-29 — — CN disclosed
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