SCHEMBL22745418

SCHEMBL22745418

CC(C)(O)C(=O)c1ccc(CC2(Cc3ccc(C(=O)C(C)(C)O)cc3)c3cc(C(=O)C(C)(C)O)ccc3-c3ccc(C(O)c4ccccc4)cc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.38
▸ RARA P10276 3/20 0.33
▸ RARB P10826 3/20 0.33
▸ RARG P13631 3/20 0.33
▸ SRD5A2 P31213 1/20 0.32
▸ PDK2 Q15119 10/20 0.32
▸ PPARG P37231 2/20 0.31
▸ ROCK2 O75116 1/20 0.30

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
SCHEMBL22745171 0.85 PDK2 (0.35) PDK2
SCHEMBL22745101 0.84 PDK2 (0.42) PDK2
SCHEMBL22745165 0.83 PDK2 (0.47) PDK2PPARG
SCHEMBL23567420 0.80 NPC1 (0.40) PDK2
SCHEMBL22745262 0.80 PDK2 (0.43) PDK2
SCHEMBL22745261 0.79 PDK2 (0.51) PDK2
SCHEMBL3674923 0.78 SRD5A2 (0.47) RXRASRD5A2
SCHEMBL22745428 0.76 PDK2 (0.49) RXRAPDK2
SCHEMBL4420966 0.76 CA1 (0.44) RXRASRD5A2
SCHEMBL23567373 0.74 KCNQ2 (0.42) PDK2

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
WO-2020238862-A1 FLUORENE INITIATOR, PHOTOCURABLE COMPOSITION COMPRISING SAME, AND APPLICATION THEREOF 常州强力先端电子材料有限公司 2020-12-03 — — WO disclosed
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