SCHEMBL29421895

SCHEMBL29421895

COc1cc(C)cc(O)c1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.70
MAPT P10636 3/20 0.57
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 2/20 0.57
POLB P06746 2/20 0.57
RECQL P46063 2/20 0.57
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
APEX1 P27695 1/20 0.57
MPI P34949 1/20 0.57
TPMT P51580 1/20 0.55
CYP3A4 P08684 1/20 0.54
PTPN1 P18031 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
ERN1 O75460 1/20 0.46
MEN1 O00255 1/20 0.44
SELL P14151 1/20 0.44
SELP P16109 1/20 0.44
SELE P16581 1/20 0.44
TUBB1 Q9H4B7 2/20 0.44

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
SCHEMBL1427958 1.00 ACHE (0.70) ACHEMAPTKMT2AKDM4EPOLB
SCHEMBL19034740 0.88 ACHE (0.59) ACHEMAPTKMT2AKDM4EPOLB
SCHEMBL68928 0.85 TDP1 (0.67) ACHEMAPTKMT2AKDM4EPOLB
SCHEMBL171116 0.83 ACHE (1.00) ACHEMAPTKMT2AKDM4EALDH1A1
SCHEMBL10053939 0.81 SELL (0.62) ACHEMAPTKMT2AKDM4EPOLB
SCHEMBL10053941 0.81 ACHE (0.50) ACHEMAPTKMT2AKDM4EPOLB
SCHEMBL5727264 0.79 ACHE (0.52) ACHEMAPTKMT2AKDM4EPOLB
SCHEMBL8084791 0.79 TDP1 (0.52) ACHEMAPTKMT2AKDM4EPOLB
SCHEMBL31496789 0.79 ACHE (0.52) ACHEMAPTKMT2AKDM4EPOLB
SCHEMBL31090180 0.79 PTPN1 (0.53) ACHEMAPTKMT2AKDM4EPOLB

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-114181047-A Method for preparing biphenol from cresol 中国科学院大连化学物理研究所 2022-03-15 CN claimed
CN-114181047-A Method for preparing biphenol from cresol 中国科学院大连化学物理研究所 2022-03-15 CN disclosed