SCHEMBL22745176

SCHEMBL22745176

CCC(CC)(C(=O)c1ccc(CC2(Cc3ccc(C(=O)C(CC)(CC)N4CCSCC4)cc3)c3ccccc3-c3ccc(C(=O)c4ccccc4)cc32)cc1)N1CCSCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 18/20 0.41
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ACHE P22303 1/20 0.32

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
SCHEMBL22745177 0.90 PDK2 (0.43) PDK2NPC1ALDH1A1LMNAMAPT
SCHEMBL22745103 0.89 PDK2 (0.41) PDK2NPC1ALDH1A1MAPTHPGD
SCHEMBL23567104 0.85 KCNQ2 (0.34) PDK2NPC1ALDH1A1LMNAMAPT
SCHEMBL22745181 0.85 ALDH1A1 (0.40) PDK2NPC1ALDH1A1MAPTHPGD
SCHEMBL22745269 0.81 ADORA2A (0.36) PDK2NPC1ALDH1A1LMNAALOX15
SCHEMBL22745178 0.79 TSHR (0.34) PDK2NPC1ALDH1A1HPGDTSHR
SCHEMBL22745277 0.79 ALDH1A1 (0.44) PDK2NPC1ALDH1A1MAPTHPGD
SCHEMBL22745261 0.78 PDK2 (0.51) PDK2
SCHEMBL22745175 0.77 PDK2 (0.50) PDK2NPC1
SCHEMBL22745441 0.77 SMN1; SMN2 (0.36) PDK2ALDH1A1HPGDTSHRMAPK1

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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