SCHEMBL22745177

SCHEMBL22745177

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 16/20 0.43
▸ ACHE P22303 2/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 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
▸ STAT1 P42224 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL22745269 0.90 ADORA2A (0.36) PDK2NPC1ALDH1A1LMNAALOX15
SCHEMBL22745176 0.90 PDK2 (0.41) PDK2ACHENPC1ALDH1A1LMNA
SCHEMBL22745277 0.89 ALDH1A1 (0.44) PDK2ACHENPC1ALDH1A1TP53
SCHEMBL22745441 0.88 SMN1; SMN2 (0.36) PDK2ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL22745179 0.84 ALDH1A1 (0.46) PDK2ACHENPC1ALDH1A1TP53
SCHEMBL22745182 0.83 PDK2 (0.34) PDK2NPC1ALDH1A1LMNAMAPT
SCHEMBL22745255 0.83 HPGD (0.37) ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL22745261 0.82 PDK2 (0.51) PDK2
SCHEMBL22745175 0.81 PDK2 (0.50) PDK2NPC1RAB9AL3MBTL1
SCHEMBL22745167 0.81 TSHR (0.48) PDK2NPC1ALDH1A1TP53HPGD

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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