SCHEMBL29948600

SCHEMBL29948600

CCOC(=O)C1CCN(c2c(F)cccc2C(C)=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
TSHR P16473 3/20 0.57
POLB P06746 1/20 0.57
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 9/20 0.53
MAPT P10636 4/20 0.53
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL23536170 1.00 KDM4E (0.57) KDM4ESMN1; SMN2TSHRPOLBKMT2A
SCHEMBL14804205 0.92 KDM4E (0.64) KDM4ESMN1; SMN2TSHRPOLBKMT2A
SCHEMBL14804206 0.86 TSHR (0.67) KDM4ESMN1; SMN2TSHRPOLBKMT2A
SCHEMBL29948562 0.85 KDM4E (0.57) KDM4ESMN1; SMN2TSHRPOLBKMT2A
SCHEMBL23536095 0.85 KDM4E (0.57) KDM4ESMN1; SMN2TSHRPOLBKMT2A
SCHEMBL23536343 0.82 KDM4E (0.54) KDM4ESMN1; SMN2TSHRPOLBKMT2A
SCHEMBL29948520 0.82 KDM4E (0.54) KDM4ESMN1; SMN2TSHRPOLBKMT2A
SCHEMBL2612165 0.81 HPGD (0.55) KDM4ETSHRKMT2AMEN1ALDH1A1
SCHEMBL23536097 0.81 MAPT (0.58) KDM4ESMN1; SMN2TSHRPOLBKMT2A
SCHEMBL29931994 0.81 MAPT (0.58) KDM4ESMN1; SMN2TSHRPOLBKMT2A

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