SCHEMBL28228760

SCHEMBL28228760

CC1(C)c2ccccc2-c2ccc(C(=O)CCC3CCCC3)cc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.46
▸ PTGS1 P23219 2/20 0.44
▸ PTGS2 P35354 2/20 0.44
▸ ACHE P22303 9/20 0.43
▸ HTR4 Q13639 2/20 0.43
▸ KMT2A Q03164 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL21694392 0.84 MAPT (0.47) PTGS1PTGS2ACHEHTR4KMT2A
SCHEMBL28403051 0.81 PDK2 (0.41) PDK2PTGS1PTGS2ACHEHTR4
SCHEMBL24490438 0.80 PDK2 (0.39) PDK2KMT2AALDH1A1
SCHEMBL28228001 0.80 SRD5A2 (0.56) ACHEKMT2A
SCHEMBL28525726 0.78 PTGS2 (0.47) PDK2PTGS1PTGS2
SCHEMBL18235870 0.77 PDK2 (0.45) PDK2
SCHEMBL28531270 0.77 PDK2 (0.41) PDK2
SCHEMBL5215126 0.76 PTPN1 (0.49) PDK2
SCHEMBL9886708 0.74 PDK2 (0.55) PDK2
SCHEMBL16271512 0.74 PDK2 (0.49) PDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108290828-B Oxime ester compound having excellent thermal stability, photopolymerization initiator containing the same, and photosensitive resin composition 京仁洋行股份有限公司 2021-01-26 — — CN disclosed
CN-108290828-A Oxime ester compound having excellent thermal stability, photopolymerization initiator containing the same, and photosensitive resin composition 京仁洋行股份有限公司 2018-07-17 — — CN disclosed
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