SCHEMBL29028290

SCHEMBL29028290

c1cc2c(c(CCOCC3CO3)c1)CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 2/20 0.35
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GLA P06280 1/20 0.33
TBXA2R P21731 1/20 0.32
RXRA P19793 4/20 0.32
RXRB P28702 4/20 0.32
RXRG P48443 4/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL1556310 0.76 TSHR (0.44) TSHRALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL4610994 0.74 ALDH1A1 (0.51) TSHRALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL5183797 0.73 TSHR (0.44) TSHRALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL9536348 0.73 ALDH1A1 (0.54) TSHRALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL9472203 0.73 TSHR (0.44) TSHRALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL9720039 0.72 BCL2L1 (0.54) TSHRALDH1A1SMN1; SMN2BCL2L1BAD
SCHEMBL733082 0.72 ALDH1A1 (0.57) TSHRALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL3887208 0.71 RXRB (0.45) TSHRALDH1A1SMN1; SMN2BCL2L1BAD
SCHEMBL7848381 0.71 ALDH1A1 (0.47) TSHRALDH1A1SMN1; SMN2TDP1GLA
SCHEMBL4609572 0.71 ALDH1A1 (0.47) TSHRALDH1A1SMN1; SMN2TDP1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110392864-B Negative photosensitive resin composition, cured film, element and organic EL display having cured film, and method for producing same 东丽株式会社 2023-05-23 CN disclosed