SCHEMBL29948489

SCHEMBL29948489

CCCCOC(=O)N1CCC(C)(COCC)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HRH2 P25021 5/20 0.39
▸ HRH1 P35367 5/20 0.39
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP3 P08254 1/20 0.35

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
SCHEMBL30136060 0.85 POLB (0.56) POLBSMN1; SMN2LMNAOPRD1OPRK1
SCHEMBL27842859 0.80 POLB (0.58) POLBSMN1; SMN2LMNAOPRD1OPRK1
SCHEMBL346648 0.79 SMN1; SMN2 (0.56) POLBSMN1; SMN2LMNAOPRD1OPRK1
SCHEMBL9405372 0.79 POLB (0.73) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL23536062 0.78 L3MBTL1 (0.35) POLBSMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL4196493 0.78 SMN1; SMN2 (0.55) POLBSMN1; SMN2LMNAOPRD1OPRK1
SCHEMBL4195731 0.78 POLB (0.55) POLBSMN1; SMN2LMNAOPRD1OPRK1
SCHEMBL30135752 0.78 POLB (0.55) POLBSMN1; SMN2LMNAOPRD1OPRK1
SCHEMBL27997752 0.78 POLB (0.51) POLBSMN1; SMN2LMNAOPRD1OPRK1
SCHEMBL24137712 0.76 POLB (0.60) POLBSMN1; SMN2LMNAOPRD1OPRK1

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
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 — — EP disclosed
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