SCHEMBL21551956

SCHEMBL21551956

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.39
▸ HPGD P15428 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HTT P42858 2/20 0.36
▸ USP2 O75604 2/20 0.36
▸ F2 P00734 1/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SRD5A1 P18405 1/20 0.36
▸ SRD5A2 P31213 1/20 0.36
▸ PDK2 Q15119 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
SCHEMBL21551963 0.88 HSD17B3 (0.42) MAPTHPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL14691381 0.88 GSK3B (0.51) HPGDALDH1A1L3MBTL1USP2F2
SCHEMBL21551833 0.87 MAPT (0.38) MAPTHPGDALDH1A1TSHRATM
SCHEMBL21551942 0.86 HSD17B3 (0.45) MAPTALDH1A1KMT2APOLB
SCHEMBL27584898 0.84 MAPT (0.37) MAPTHPGDALDH1A1TSHRATM
SCHEMBL18235870 0.83 PDK2 (0.45) MAPTATMSMN1; SMN2L3MBTL1PDK2
SCHEMBL21333830 0.83 SRD5A2 (0.53) HPGDKMT2APOLBSRD5A1SRD5A2
SCHEMBL4998169 0.83 MAPT (0.47) MAPTHPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL18012808 0.82 MAPT (0.38) MAPTHPGDALDH1A1TSHRATM
SCHEMBL21560671 0.82 SMN1; SMN2 (0.42) MAPTHPGDALDH1A1TSHRSMN1; SMN2

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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