SCHEMBL22745185

SCHEMBL22745185

CC(C)(O)C(=O)c1ccc(CC2(Cc3ccc(C(=O)C(C)(C)O)cc3)c3cc(C(=O)c4cccs4)ccc3-c3ccc(C(=O)C(C)(C)O)cc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.51
▸ PTGS1 P23219 3/20 0.43
▸ PTGS2 P35354 3/20 0.43
▸ ALOX5 P09917 2/20 0.43
▸ HPGD P15428 6/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HPGDS O60760 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL22745252 0.95 PDK2 (0.56) PDK2PTGS1PTGS2ALOX5HPGD
SCHEMBL22745171 0.85 PDK2 (0.35) PDK2
SCHEMBL22745165 0.83 PDK2 (0.47) PDK2PTGS1PTGS2ALOX5NPC1
SCHEMBL22745101 0.81 PDK2 (0.42) PDK2TSHRCYP2C9
SCHEMBL22745261 0.79 PDK2 (0.51) PDK2CNR2
SCHEMBL23567420 0.76 NPC1 (0.40) PDK2NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL22745256 0.75 MAPK13 (0.38) PDK2HTTALDH1A1
SCHEMBL22745274 0.73 PDK2 (0.34) PDK2
SCHEMBL21024782 0.73 PDK2 (0.61) PDK2PTGS1PTGS2ALOX5HPGD
SCHEMBL22745172 0.72 PDK2 (0.34) PDK2ALDH1A1

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
Send feedback