SCHEMBL11272091

SCHEMBL11272091

CCOC(=O)C(C)(C)C(=O)C(Br)Oc1ccccc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.39
LMNA P02545 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 2/20 0.39
PIN1 Q13526 1/20 0.38
KDM4E B2RXH2 4/20 0.38
PKM P14618 1/20 0.38
ADRB2 P07550 2/20 0.38
ADRB1 P08588 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP8 P22894 1/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
PTPN1 P18031 1/20 0.36

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
SCHEMBL11272166 0.85 TDP1 (0.43) TDP1PIN1ALDH1A1MMP8HTT
SCHEMBL11266219 0.84 MAPT (0.47) L3MBTL1LMNAPIN1PKMSMN1; SMN2
SCHEMBL11396237 0.81 L3MBTL1 (0.40) L3MBTL1LMNATDP1MAPK1KDM4E
SCHEMBL11539614 0.81 ADRB2 (0.38) L3MBTL1LMNATDP1MAPK1KDM4E
SCHEMBL11277518 0.78 PTGDR2 (0.44) ALDH1A1SMN1; SMN2USP2MAPT
SCHEMBL11285398 0.74 CYP1A2 (0.40) LMNATDP1MAPK1KDM4EALDH1A1
SCHEMBL11282098 0.73 TSHR (0.37) L3MBTL1LMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL11780061 0.73 L3MBTL1 (0.49) L3MBTL1LMNATDP1MAPK1PIN1
SCHEMBL11275609 0.73 SMN1; SMN2 (0.49) L3MBTL1TDP1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL11271870 0.73 ALDH1A1 (0.43) L3MBTL1LMNATDP1MAPK1KDM4E

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
US-4331674-A Combating fungi with 4-phenoxy-4-(azolyl-1-yl)-butanoic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 1982-05-25 US disclosed