SCHEMBL23536343

SCHEMBL23536343

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TSHR P16473 2/20 0.54
POLB P06746 2/20 0.54
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 9/20 0.50
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 1/20 0.45
LGMN Q99538 1/20 0.45

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
SCHEMBL29948520 1.00 KDM4E (0.54) KDM4ESMN1; SMN2TSHRPOLBKMT2A
SCHEMBL14804205 0.89 KDM4E (0.64) KDM4ESMN1; SMN2TSHRPOLBKMT2A
SCHEMBL29948481 0.86 SMN1; SMN2 (0.49) KDM4ESMN1; SMN2TSHRPOLBKMT2A
SCHEMBL23536337 0.86 SMN1; SMN2 (0.49) KDM4ESMN1; SMN2TSHRPOLBKMT2A
SCHEMBL14804206 0.83 TSHR (0.67) KDM4ESMN1; SMN2TSHRPOLBKMT2A
SCHEMBL23536095 0.82 KDM4E (0.57) KDM4ESMN1; SMN2TSHRPOLBKMT2A
SCHEMBL23536170 0.82 KDM4E (0.57) KDM4ESMN1; SMN2TSHRPOLBKMT2A
SCHEMBL29948600 0.82 KDM4E (0.57) KDM4ESMN1; SMN2TSHRPOLBKMT2A
SCHEMBL29948562 0.82 KDM4E (0.57) KDM4ESMN1; SMN2TSHRPOLBKMT2A
SCHEMBL23536097 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed