SCHEMBL21722871

SCHEMBL21722871

COc1c[c]c(O)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.37
MAPT P10636 2/20 0.37
MAOB P27338 1/20 0.34
TUBB1 Q9H4B7 2/20 0.33
ACHE P22303 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALOX15 P16050 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
ERN1 O75460 1/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
PKM P14618 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL5190252 0.82 CYP3A4 (0.39) CYP3A4MAPTMAOBACHEALOX15
SCHEMBL28093164 0.80 MAOB (0.40) CYP3A4MAPTMAOBTUBB1ALOX15
SCHEMBL220314 0.77 ACHE (0.36) CYP3A4MAPTACHETAAR1PKM
SCHEMBL28716937 0.77 LMNA (0.39) CYP3A4MAPTMAOBTUBB1ERN1
SCHEMBL9152723 0.76 MAOB (0.45) CYP3A4MAPTMAOBTAAR1ALOX15
SCHEMBL1969378 0.76 ACHE (0.39) CYP3A4MAPTTUBB1ACHETAAR1
SCHEMBL1097982 0.74 TUBB1 (0.33) CYP3A4MAPTTUBB1ACHETAAR1
SCHEMBL21980882 0.74 ACHE (0.33) CYP3A4MAPTACHETAAR1PKM
SCHEMBL1095951 0.74 NQO2 (0.37) MAPTACHETAAR1ALOX15PKM
SCHEMBL3598860 0.74

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112867751-B Dispersants for coating systems 巴斯夫欧洲公司 2023-10-27 CN disclosed
US-20210230362-A1 A DISPERSANT FOR COATING SYSTEM BASF SE (DE) 2021-07-29 US disclosed
EP-3837303-A1 A DISPERSANT FOR COATING SYSTEM BASF SE (DE) 2021-06-23 EP disclosed
CN-112867751-A Dispersants for coating systems 巴斯夫欧洲公司 2021-05-28 CN disclosed
WO-2020035523-A1 A DISPERSANT FOR COATING SYSTEM BASF SE (DE) 2020-02-20 WO disclosed