SCHEMBL28811348

SCHEMBL28811348

CCC(O)COc1ccc(-c2cccc3c2Cc2ccccc2-3)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PRMT5 O14744 3/20 0.39
WDR77 Q9BQA1 3/20 0.39
CHRNA7 P36544 1/20 0.39
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
PKM P14618 1/20 0.38
PNMT P11086 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL29691679 0.89 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1PRMT5WDR77
SCHEMBL2806274 0.87 LMNA (0.50) ALDH1A1KMT2APRMT5WDR77CHRNA7
SCHEMBL28973242 0.83 MEN1 (0.49) ALDH1A1KMT2AMEN1MAPTPNMT
SCHEMBL28045350 0.81 PNMT (0.45) ALDH1A1KMT2AMEN1PNMTLMNA
SCHEMBL28414996 0.81 CYP3A4 (0.38) ALDH1A1KMT2AMEN1CHRNA7MAPT
SCHEMBL28472936 0.80 CYP2D6 (0.46) ALDH1A1CHRNA7MAPTPNMTSMN1; SMN2
SCHEMBL29028145 0.80 THRB (0.38) ALDH1A1KMT2AMEN1PRMT5WDR77
SCHEMBL577072 0.80 ALDH1A1 (0.49) ALDH1A1CHRNA7PNMT
SCHEMBL30493148 0.80 LMNA (0.44) ALDH1A1KMT2AMEN1PRMT5WDR77
SCHEMBL8681928 0.78 HRH3 (0.42) ALDH1A1PNMTSMN1; SMN2

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-114591500-A Nano-sized low-birefringence optical-grade polycarbonate material and preparation method thereof 中国科学院成都有机化学有限公司 2022-06-07 CN claimed
CN-114591500-A Nano-sized low-birefringence optical-grade polycarbonate material and preparation method thereof 中国科学院成都有机化学有限公司 2022-06-07 CN disclosed