SCHEMBL28828150

SCHEMBL28828150

COCCOc1cc(C)c(OC)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FDPS P14324 3/20 0.39
F2 P00734 1/20 0.38
ELANE P08246 1/20 0.38

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
SCHEMBL12020661 0.93 HTT (0.46) TAAR1LMNAHTTL3MBTL1SMN1; SMN2
SCHEMBL10349005 0.83 L3MBTL1 (0.46) LMNAHTTL3MBTL1SMN1; SMN2MAPT
SCHEMBL10348478 0.83 L3MBTL1 (0.46) LMNAHTTL3MBTL1SMN1; SMN2MAPT
SCHEMBL10348231 0.83 L3MBTL1 (0.46) LMNAHTTL3MBTL1SMN1; SMN2MAPT
SCHEMBL10349000 0.83 L3MBTL1 (0.46) LMNAHTTL3MBTL1SMN1; SMN2MAPT
SCHEMBL10349003 0.83 L3MBTL1 (0.46) LMNAHTTL3MBTL1SMN1; SMN2MAPT
SCHEMBL10348477 0.83 L3MBTL1 (0.46) LMNAHTTL3MBTL1SMN1; SMN2MAPT
SCHEMBL19777819 0.82 L3MBTL1 (0.49) LMNAHTTL3MBTL1SMN1; SMN2MAPT
SCHEMBL12374339 0.81 PDE3B (0.45) TAAR1LMNAHTTCYP2C9CYP2C19
SCHEMBL25437312 0.80 ALDH1A1 (0.52) LMNAHTTSMN1; SMN2MAPTALDH1A1

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
CN-114976169-B Electrolyte and application thereof, flow battery and battery stack 北京低碳清洁能源研究院 2024-11-12 CN disclosed
CN-114976169-A Electrolyte, application thereof, flow battery and battery stack 国家能源投资集团有限责任公司 2022-08-30 CN disclosed