SCHEMBL21431276

SCHEMBL21431276

CCOCCC1(CCOCC)c2cc(C(=O)/C(=N/OC)c3cccs3)ccc2-c2ccc(C(=O)/C(=N/OC(C)=O)c3cccs3)cc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.35
▸ PKM P14618 2/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPC1 O15118 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ HTT P42858 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
SCHEMBL21431274 0.83 HCAR3 (0.32) LMNAMAPK1KMT2APDK2SMN1; SMN2
SCHEMBL21431273 0.79 NPC1 (0.33) MAPTPKMLMNAALDH1A1KMT2A
SCHEMBL21431275 0.78 NPC1 (0.34) MAPTLMNAALDH1A1MAPK1KMT2A
SCHEMBL18123002 0.76 PDK2 (0.41) MAPTPKMCDK5CDK5R1ALDH1A1
SCHEMBL21431277 0.74 — —
SCHEMBL21431271 0.73 RXRA (0.33) —
SCHEMBL21431279 0.73 PDK2 (0.33) ALDH1A1MAPK1NPC1RAB9APDK2
SCHEMBL21431091 0.70 PKM (0.33) MAPTPKMALDH1A1MAPK1KMT2A
SCHEMBL18123000 0.70 APEX1 (0.39) PDK2
SCHEMBL18123032 0.70 PDK2 (0.33) PKMKMT2ANPC1RAB9APDK2

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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