SCHEMBL29079294

SCHEMBL29079294

C=Cc1ccc(OCC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
TSHR P16473 1/20 0.43
CHRNA7 P36544 4/20 0.41
CHRNB4 P30926 3/20 0.41
CHRNA3 P32297 3/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
RELA Q04206 1/20 0.40
KDM4E B2RXH2 3/20 0.36
CYP1A2 P05177 2/20 0.36
TP53 P04637 2/20 0.36
CYP2D6 P10635 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRNA10 Q9GZZ6 2/20 0.36
CHRNA9 Q9UGM1 2/20 0.36

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
SCHEMBL29079295 0.83 ALDH1A1 (0.47) ALDH1A1RELAKDM4EMAPTMEN1
SCHEMBL5200155 0.82 ALDH1A1 (0.46) ALDH1A1TSHRCHRNA7CHRNB4CHRNA3
SCHEMBL3695404 0.76 CHRNA7 (0.56) ALDH1A1TSHRCHRNA7CHRNB4CHRNA3
SCHEMBL887953 0.74 CHRNA7 (0.50) ALDH1A1TSHRCHRNA7CHRNB4CHRNA3
SCHEMBL3562858 0.74 KCNA3 (0.64) ALDH1A1TSHRCHRNA7CHRNB4CHRNA3
SCHEMBL2998505 0.74 CHRNB2 (0.46) ALDH1A1TSHRCHRNA7CHRNB4CHRNA3
SCHEMBL14341692 0.74 CHRNA7 (0.46) ALDH1A1TSHRCHRNA7CHRNB4CHRNA3
SCHEMBL18038401 0.74 GAA (0.41) ALDH1A1MAPTHPGDSMN1; SMN2CYP3A4
SCHEMBL763259 0.73 LMNA (0.60) ALDH1A1TSHRKDM4ECYP1A2MAPT
SCHEMBL5199756 0.73 ALDH1A1 (0.48) ALDH1A1TSHRCHRNA7CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116813454-B Synthetic method of pterostilbene 珠海市柏瑞医药科技有限公司 2024-03-22 CN claimed
CN-116813454-A Synthetic method of pterostilbene 珠海市柏瑞医药科技有限公司 2023-09-29 CN claimed
CN-116813454-B Synthetic method of pterostilbene 珠海市柏瑞医药科技有限公司 2024-03-22 CN disclosed
CN-116813454-A Synthetic method of pterostilbene 珠海市柏瑞医药科技有限公司 2023-09-29 CN disclosed