SCHEMBL28822221

SCHEMBL28822221

CC=C1CCC(C(=O)OCC)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PDK1 Q15118 1/20 0.43
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL13469678 0.86 MAPT (0.46) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3031033 0.83 ESR2 (0.57) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13280281 0.83 MAPT (0.44) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29191227 0.83 MAPT (0.44) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2329373 0.83 MAPT (0.44) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10290660 0.81 MAPT (0.43) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29191208 0.81 MAPT (0.40) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8195480 0.80 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13554003 0.80 MAPT (0.42) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL879910 0.80 MAPT (0.42) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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
CN-109790146-B Pharmaceutical compounds 阿尔麦克探索有限公司 2022-08-23 CN disclosed