SCHEMBL21431275

SCHEMBL21431275

CCOCCC1(CCOCC)c2cc(C(=O)/C(=N/OC(C)=O)c3cccc4ccccc34)ccc2-c2ccc(C(=O)/C(=N/OC(C)=O)c3cccc4ccccc34)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CDC25B P30305 1/20 0.34
▸ HPGD P15428 4/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CNR2 P34972 7/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ CNR1 P21554 4/20 0.32
▸ CYP2C9 P11712 2/20 0.31
▸ POLB P06746 2/20 0.31
▸ GMNN O75496 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL18122993 0.88 CNR2 (0.36) NPC1RAB9ACDC25BHPGDMEN1
SCHEMBL21431274 0.86 HCAR3 (0.32) MEN1KMT2AL3MBTL1SMN1; SMN2LMNA
SCHEMBL18122999 0.82 CNR2 (0.41) NPC1RAB9ACDC25BCNR2CNR1
SCHEMBL21431273 0.80 NPC1 (0.33) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL24970943 0.78 CNR2 (0.33) HPGDCNR2CNR1GMNNLMNA
SCHEMBL21431276 0.78 MAPT (0.35) NPC1RAB9AHPGDKMT2AALDH1A1
SCHEMBL17084343 0.77 NPC1 (0.36) NPC1RAB9ACDC25BHPGDMEN1
SCHEMBL17056199 0.77 CNR2 (0.39) CDC25BCNR2CNR1CYP2C9
SCHEMBL18123032 0.76 PDK2 (0.33) NPC1RAB9AKMT2AL3MBTL1POLB
SCHEMBL18123006 0.76 PDK2 (0.33) NPC1RAB9AKMT2ASMN1; SMN2POLB

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-2019188717-A1 COMPOUND, RADICAL POLYMERIZATION INITIATOR, COMPOSITION, CURED PRODUCT AND METHOD FOR PRODUCING CURED PRODUCT 株式会社ADEKA 2019-10-03 — — WO disclosed
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