SCHEMBL28619755

SCHEMBL28619755

Cc1cc2c(cc1O)C(=O)OC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 5/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 4/20 0.43
PKM P14618 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
G6PD P11413 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
CCR6 P51684 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL16523540 0.93 CYP3A4 (0.51) CYP3A4ALDH1A1LMNAMAPTGAA
SCHEMBL25546732 0.84 CYP3A4 (0.58) CYP3A4ALDH1A1LMNAMAPTGAA
SCHEMBL1608218 0.84 CYP3A4 (0.53) CYP3A4ALDH1A1LMNAMAPTGAA
SCHEMBL26773970 0.81 ALDH1A1 (0.44) CYP3A4ALDH1A1LMNAMAPTGAA
SCHEMBL19509223 0.81 CYP3A4 (0.50) CYP3A4ALDH1A1LMNAMAPTGAA
SCHEMBL26767234 0.78 ALDH1A1 (0.44) CYP3A4ALDH1A1LMNAMAPTGAA
SCHEMBL26773942 0.78 ALDH1A1 (0.44) CYP3A4ALDH1A1LMNAMAPTGAA
SCHEMBL24822836 0.78 CYP3A4 (0.51) CYP3A4ALDH1A1LMNAMAPTGAA
SCHEMBL32666728 0.78 CYP3A4 (0.47) CYP3A4ALDH1A1LMNAMAPTGAA
SCHEMBL27094979 0.78 CYP3A4 (0.47) CYP3A4ALDH1A1LMNAMAPTGAA

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-113234079-B Nucleoside analogs as PRMT5 inhibitors 上海湃隆生物科技有限公司 2022-02-01 CN disclosed
CN-113234079-A Nucleoside analogs as PRMT5 inhibitors 上海湃隆生物科技有限公司 2021-08-10 CN disclosed