SCHEMBL23536173

SCHEMBL23536173

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2C19 P33261 2/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
NOTUM Q6P988 5/20 0.39
FFAR4 Q5NUL3 6/20 0.39
CREBBP Q92793 1/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL23536098 0.85 TP53 (0.44) TP53SMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL23536308 0.81 TP53 (0.42) TP53SMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL23536231 0.81 POLB (0.59) TP53SMN1; SMN2ALDH1A1CYP2C19POLB
SCHEMBL23536339 0.76 ALDH1A1 (0.40) TP53SMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL23536283 0.71 MCOLN2 (0.44) TP53SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL12127791 0.71 SMN1; SMN2 (0.48) TP53SMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL23582982 0.70 CYP2C19 (0.46) KDM4ENPSR1USP2HPGDHSD17B10
SCHEMBL3788594 0.70 KDM4E (0.62) TP53SMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL6204089 0.69 ALDH1A1 (0.61) TP53SMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL6501087 0.68 NOTUM (0.57) TP53SMN1; SMN2ALDH1A1KDM4ENPSR1

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