SCHEMBL28527043

SCHEMBL28527043

Cc1cc(C)c(C(C)(C)CCO[Si](C)(C)C(C)(C)C)c(OC(=O)CCCCC(=O)Oc2cc(C)cc(C)c2C(C)(C)CCO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TSHR P16473 4/20 0.32
TTR P02766 1/20 0.32
CYP2C8 P10632 1/20 0.32
CHRM1 P11229 1/20 0.32
ADRA1A P35348 1/20 0.32
PPARG P37231 1/20 0.32
HTR2B P41595 1/20 0.32
PPARA Q07869 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL28527045 0.97 TSHR (0.36) ALDH1A1SMN1; SMN2CYP1A2CYP2C9MEN1
SCHEMBL18613472 0.95 MAPT (0.33) ALDH1A1SMN1; SMN2CYP1A2CYP2C9MEN1
SCHEMBL24822046 0.95 TOP2A (0.36) SMN1; SMN2KMT2ACNR1CNR2ALOX15
SCHEMBL5605635 0.95 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2CYP1A2CYP2C9MEN1
SCHEMBL18613473 0.91 TSHR (0.34) ALDH1A1SMN1; SMN2CYP1A2CYP2C9TSHR
SCHEMBL28720301 0.89 ALOX5 (0.33) ALDH1A1SMN1; SMN2CYP1A2CYP2C9MEN1
SCHEMBL20624632 0.87 ELANE (0.32) ALDH1A1SMN1; SMN2CYP1A2CYP2C9TSHR
SCHEMBL29626983 0.86 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CNR1CNR2LMNA
SCHEMBL20624670 0.86 TTR (0.31) SMN1; SMN2CYP1A2CYP2C9TSHRTTR
SCHEMBL18114041 0.86 ELANE (0.39) ALDH1A1SMN1; SMN2CYP1A2CYP2C9TSHR

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-117164657-A Prodrugs of directed lymphatics 莫纳什大学 2023-12-05 CN disclosed
CN-117088931-A Prodrugs of directed lymphatics 莫纳什大学 2023-11-21 CN disclosed
CN-106715456-B Prodrugs of directed lymphatics 莫纳什大学 2023-08-29 CN disclosed
CN-112430250-A Lymphatic prodrugs 莫纳什大学 2021-03-02 CN disclosed