SCHEMBL21551963

SCHEMBL21551963

CCCC(=O)c1ccc2c(c1)C(C)(C)c1cc(Br)ccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 1/20 0.42
▸ HPGD P15428 6/20 0.41
▸ MAPT P10636 6/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ GAA P10253 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ STS P08842 1/20 0.38
▸ PTGS1 P23219 2/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ TLK2 Q86UE8 1/20 0.36
▸ TP53 P04637 1/20 0.35

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
SCHEMBL21551942 0.92 HSD17B3 (0.45) HSD17B3MAPTALDH1A1RAB9AKMT2A
SCHEMBL21551956 0.88 MAPT (0.39) HPGDMAPTALDH1A1GAAHTT
SCHEMBL14691381 0.85 GSK3B (0.51) HPGDALDH1A1L3MBTL1USP2F2
SCHEMBL23805923 0.83 HTR7 (0.46) HSD17B3HPGDMAPTALDH1A1GAA
SCHEMBL7214386 0.81 HSD17B3 (0.48) HSD17B3STSPTGS2
SCHEMBL4998169 0.80 MAPT (0.47) HPGDMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL21333830 0.80 SRD5A2 (0.53) HPGDKDM4EKMT2AMEN1
SCHEMBL25199664 0.79 CA12 (0.48) HPGDMAPTALDH1A1STS
SCHEMBL14691482 0.77 GSK3B (0.39) HPGDMAPTALDH1A1HTTNPC1
SCHEMBL27584898 0.76 MAPT (0.37) HPGDMAPTALDH1A1GAAHTT

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-2019216600-A1 NOVEL OXIME ESTER COMPOUND AND PHOTORESIST COMPOSITION COMPRISING SAME 주식회사 트리엘 (KR) 2019-11-14 — — WO disclosed
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