SCHEMBL21431271

SCHEMBL21431271

CCCCCC/C(=N\OC(C)=O)C(=O)c1ccc2c(c1)C(CCOCC)(CCOCC)c1cc(C(=O)/C(CCCCCC)=N/OC(C)=O)ccc1-2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.33
▸ HNF4A P41235 1/20 0.33
▸ MMP14 P50281 1/20 0.31
▸ HSD17B3 P37058 5/20 0.30
▸ PTPN11 Q06124 1/20 0.30
▸ CES2 O00748 1/20 0.30
▸ CES1 P23141 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
SCHEMBL21431283 0.89 CETP (0.35) CES2CES1
SCHEMBL24490481 0.86 PDK2 (0.36) PTPN11CES2CES1
SCHEMBL24490485 0.86 PDK2 (0.36) PTPN11CES2CES1
SCHEMBL24490462 0.86 PDK2 (0.36) PTPN11CES2CES1
SCHEMBL23895114 0.86 APEX1 (0.34) —
SCHEMBL21431262 0.85 MAPT (0.31) RXRAHNF4AHSD17B3
SCHEMBL21431277 0.84 — —
SCHEMBL21431282 0.84 — —
SCHEMBL24490482 0.83 PDK2 (0.36) PTPN11CES2CES1
SCHEMBL21431242 0.83 HSD17B3 (0.31) HSD17B3CES2CES1

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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