SCHEMBL25829241

SCHEMBL25829241

C=C(C)CCOCCOCCOCCCCCCOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
GBA1 P04062 3/20 0.43
UGCG Q16739 2/20 0.43
GBA2 Q9HCG7 2/20 0.43
EPHX2 P34913 2/20 0.43
TSHR P16473 1/20 0.42
NAAA Q02083 1/20 0.42
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
TEAD3 Q99594 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL1109806 0.90 TSHR (0.52) L3MBTL1TDP1TSHRNAAASMN1; SMN2
SCHEMBL4663055 0.87 L3MBTL1 (0.50) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL23405397 0.83 TSHR (0.61) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL20535824 0.83 TSHR (0.61) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL21184508 0.81 TSHR (0.64) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL16595002 0.81 TSHR (0.64) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL25195898 0.81 TSHR (0.64) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL19040806 0.80 L3MBTL1 (0.50) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL16594712 0.79 TSHR (0.61) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL9011624 0.79 TSHR (0.67) L3MBTL1TDP1GBA1UGCGGBA2

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-2023129564-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed