SCHEMBL21551942

SCHEMBL21551942

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 7/20 0.45
▸ HTR7 P34969 1/20 0.44
▸ STS P08842 1/20 0.41
▸ PTGS1 P23219 4/20 0.40
▸ PTGS2 P35354 4/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL21551963 0.92 HSD17B3 (0.42) HSD17B3STSPTGS1PTGS2ALOX5
SCHEMBL7214386 0.86 HSD17B3 (0.48) HSD17B3HTR7STSPTGS2HDAC1
SCHEMBL21551956 0.86 MAPT (0.39) ALDH1A1KMT2AMAPTPOLB
SCHEMBL14691381 0.83 GSK3B (0.51) ALDH1A1
SCHEMBL21333830 0.78 SRD5A2 (0.53) MEN1KMT2APOLB
SCHEMBL4998169 0.78 MAPT (0.47) MEN1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL21551838 0.78 RARB (0.41) HSD17B3HTR7STSPTGS1PTGS2
SCHEMBL18012808 0.77 MAPT (0.38) MEN1ALDH1A1KMT2ATP53MAPT
SCHEMBL25199664 0.77 CA12 (0.48) STSALDH1A1MAPT
SCHEMBL21551928 0.76 SMN1; SMN2 (0.44) HSD17B3HTR7STSALDH1A1HDAC1

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