SCHEMBL21431279

SCHEMBL21431279

CCOCCC1(CCOCC)c2cc(C(=O)/C(=N/OC(C)=O)C3CCCC3)ccc2-c2ccc(C(=O)/C(=N/OC(C)=O)C3CCCC3)cc21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.33
▸ RAB9A P51151 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL21419732 0.85 PDK2 (0.40) PDK2
SCHEMBL18926233 0.80 ALDH1A1 (0.30) ALDH1A1
SCHEMBL21431274 0.79 HCAR3 (0.32) PDK2SMN1; SMN2MAPK1
SCHEMBL21431277 0.78 — —
SCHEMBL21431271 0.77 RXRA (0.33) —
SCHEMBL21431273 0.75 NPC1 (0.33) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL21431275 0.74 NPC1 (0.34) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL21431276 0.73 MAPT (0.35) PDK2RAB9ANPC1HPGDHTT
SCHEMBL23895114 0.72 APEX1 (0.34) PDK2HTTSMN1; SMN2
SCHEMBL21431272 0.72 SMN1; SMN2 (0.37) RAB9ANPC1HPGDHTTSMN1; SMN2

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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