SCHEMBL29948657

SCHEMBL29948657

CCOC(=O)C1CCN(c2ccc(Cl)cc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
LGMN Q99538 1/20 0.56
MAPT P10636 4/20 0.54
KDM4E B2RXH2 3/20 0.54
TSHR P16473 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 1/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HTT P42858 2/20 0.53
TDP1 Q9NUW8 1/20 0.52
RAB9A P51151 1/20 0.52
ATM Q13315 1/20 0.52
TP53 P04637 1/20 0.52
ALOX12 P18054 1/20 0.52
HSD17B10 Q99714 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
SCHEMBL17542785 1.00 ALDH1A1 (0.56) ALDH1A1LGMNMAPTKDM4ETSHR
SCHEMBL17542826 0.89 LGMN (0.59) ALDH1A1LGMNMAPTKDM4ETSHR
SCHEMBL3436573 0.88 MEN1 (0.61) ALDH1A1LGMNMAPTKDM4ETSHR
SCHEMBL25031455 0.85 LGMN (0.56) ALDH1A1LGMNMAPTKDM4ETSHR
SCHEMBL3554337 0.85 LGMN (0.65) ALDH1A1LGMNMAPTKDM4ETSHR
SCHEMBL11199209 0.84 LGMN (0.55) ALDH1A1LGMNMAPTKDM4ETSHR
SCHEMBL14804172 0.83 KMT2A (0.56) ALDH1A1LGMNMAPTKDM4ETSHR
SCHEMBL17305299 0.83 LGMN (0.56) ALDH1A1LGMNMAPTKDM4ETSHR
SCHEMBL196131 0.82 HPGD (0.61) ALDH1A1LGMNMAPTKDM4ETSHR
SCHEMBL3435998 0.81 MAPT (0.74) ALDH1A1LGMNMAPTSMN1; SMN2POLB

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