SCHEMBL23536308

SCHEMBL23536308

CCc1cc(F)c(N2CCC(C(=O)O)CC2)c(CCO)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FFAR4 Q5NUL3 5/20 0.38
CYP2C19 P33261 2/20 0.38
POLB P06746 2/20 0.38
CYP2C9 P11712 1/20 0.38
NOTUM Q6P988 5/20 0.37
NEK2 P51955 1/20 0.34
PLK1 P53350 1/20 0.34
NEK1 Q96PY6 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL23536339 0.84 ALDH1A1 (0.40) TP53SMN1; SMN2ALDH1A1KDM4EUSP2
SCHEMBL23536173 0.81 TP53 (0.44) TP53SMN1; SMN2ALDH1A1KDM4EUSP2
SCHEMBL23536098 0.81 TP53 (0.44) TP53SMN1; SMN2ALDH1A1KDM4EUSP2
SCHEMBL23536018 0.78 ALDH1A1 (0.42) TP53SMN1; SMN2ALDH1A1KDM4EFFAR4
SCHEMBL23536231 0.78 POLB (0.59) TP53SMN1; SMN2ALDH1A1CYP2C19POLB
SCHEMBL23536283 0.69 MCOLN2 (0.44) TP53SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL12127791 0.68 SMN1; SMN2 (0.48) TP53SMN1; SMN2ALDH1A1KDM4EUSP2
SCHEMBL23582982 0.67 CYP2C19 (0.46) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL3788594 0.67 KDM4E (0.62) TP53SMN1; SMN2ALDH1A1KDM4EUSP2
SCHEMBL6204089 0.67 ALDH1A1 (0.61) TP53SMN1; SMN2ALDH1A1KDM4EUSP2

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 2 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
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed