SCHEMBL20214726

SCHEMBL20214726

CCC(=O)C(NC(=O)c1ccc(C)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HPGD P15428 2/20 0.49
ALDH1A1 P00352 5/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 4/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAPT P10636 1/20 0.45
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL15049593 0.86 SMN1; SMN2 (0.61) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL6224189 0.84 MAPT (0.49) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL5782191 0.77 CA2 (0.45) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL10659467 0.77 MEN1 (0.54) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL5782189 0.77 KMT2A (0.54) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL5858248 0.75 TAS1R3 (0.63) SMN1; SMN2HPGDALDH1A1GAALMNA
SCHEMBL18803717 0.74 CA2 (0.57) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL4678843 0.74 CA2 (0.70) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL12302109 0.74 CA2 (0.63) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL21078060 0.74 HTT (0.71) SMN1; SMN2MEN1KMT2AHPGDALDH1A1

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
WO-2018102358-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES BASED ON APOE4 GENOTYPE T3D THERAPEUTICS, INC. (US) 2018-06-07 WO disclosed