SCHEMBL30380731

SCHEMBL30380731

COc1cccc(C(=O)NCCOCCOCCCO)c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.72
▸ MAPT P10636 1/20 0.72
▸ ALDH1A1 P00352 2/20 0.61
▸ KMT2A Q03164 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ MEN1 O00255 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ HPGD P15428 2/20 0.56
▸ SIGMAR1 Q99720 1/20 0.56
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ RECQL P46063 1/20 0.53
▸ NAMPT P43490 1/20 0.53
▸ MMP13 P45452 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52

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
SCHEMBL29760721 0.92 GAA (0.67) GAAMAPTALDH1A1KMT2ALMNA
SCHEMBL15071686 0.91 GAA (0.69) GAAMAPTALDH1A1KMT2ALMNA
SCHEMBL30184646 0.90 GAA (0.70) GAAMAPTALDH1A1KMT2ALMNA
SCHEMBL16449002 0.86 GAA (0.77) GAAMAPTALDH1A1KMT2ALMNA
SCHEMBL27951641 0.84 ALDH1A1 (0.65) GAAMAPTALDH1A1KMT2ALMNA
SCHEMBL30098865 0.84 ALDH1A1 (0.73) GAAMAPTALDH1A1KMT2ALMNA
SCHEMBL11756934 0.81 GAA (0.73) GAAMAPTALDH1A1KMT2ALMNA
SCHEMBL9491894 0.81 GAA (0.73) GAAMAPTALDH1A1KMT2ALMNA
SCHEMBL30380715 0.80 GAA (0.58) GAAMAPTALDH1A1KMT2ALMNA
SCHEMBL3827918 0.79 GAA (0.82) GAAMAPTALDH1A1KMT2ALMNA

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
WO-2023059583-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2023-04-13 — — WO disclosed
Send feedback