SCHEMBL28535446

SCHEMBL28535446

Cc1cc(C)c(C(C)(C)CC=O)c(OC(=O)CCCCC(=O)Oc2cc(C)cc(C)c2C(C)(C)CC=O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
FABP4 P15090 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MAPT P10636 3/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 2/20 0.33
TSHR P16473 4/20 0.32
HPGD P15428 3/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
VCAM1 P19320 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
SCHEMBL18613698 0.95 MAPT (0.36) ALDH1A1SMN1; SMN2KMT2ACYP1A2CYP2C9
SCHEMBL25653711 0.94 TOP2A (0.39) SMN1; SMN2KMT2AALOX15LMNAAKR1C3
SCHEMBL5605689 0.94 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2KMT2ACYP1A2CYP2C9
SCHEMBL24878406 0.92 MAPT (0.33) ALDH1A1SMN1; SMN2KMT2ACYP1A2CYP2C9
SCHEMBL19608800 0.91 ALOX15 (0.36) ALDH1A1SMN1; SMN2KMT2ACYP1A2CYP2C9
SCHEMBL18613700 0.91 TSHR (0.36) ALDH1A1SMN1; SMN2KMT2ACYP1A2CYP2C9
SCHEMBL22125759 0.88 ALOX5 (0.36) ALDH1A1SMN1; SMN2KMT2ACYP1A2CYP2C9
SCHEMBL15283358 0.85 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2KMT2ACYP2C9MAPT
SCHEMBL29627072 0.85 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNA
SCHEMBL18114100 0.84 ELANE (0.40) ALDH1A1CYP2C9MAPTLMNANPSR1

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