SCHEMBL30041535

SCHEMBL30041535

CN1CCCc2cc(C(=O)O)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
GAA P10253 4/20 0.58
MAPT P10636 2/20 0.58
HPGD P15428 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ACHE P22303 2/20 0.54
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
MCL1 Q07820 3/20 0.51
KDM4E B2RXH2 5/20 0.47
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PRKAB2 O43741 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA2 P54646 1/20 0.46

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
SCHEMBL2817935 1.00 ALDH1A1 (0.58) ALDH1A1GAAMAPTHPGDMEN1
SCHEMBL2819895 0.92 ACHE (0.51) ALDH1A1GAAMAPTHPGDMEN1
SCHEMBL11349761 0.90 ALDH1A1 (0.58) ALDH1A1GAAMAPTHPGDMEN1
SCHEMBL16061662 0.87 ALDH1A1 (0.55) ALDH1A1GAAMAPTHPGDMEN1
SCHEMBL13991527 0.87 ALDH1A1 (0.55) ALDH1A1GAAMAPTHPGDMEN1
SCHEMBL20119174 0.87 ALDH1A1 (0.56) ALDH1A1GAAMAPTHPGDMEN1
SCHEMBL17262947 0.85 POLB (0.51) ALDH1A1GAAMAPTHPGDMEN1
SCHEMBL18997592 0.84 ALDH1A1 (0.52) ALDH1A1GAAMAPTHPGDMEN1
SCHEMBL18612974 0.84 HDAC6 (0.55) ALDH1A1GAAMAPTHPGDMEN1
SCHEMBL30041925 0.84 PDK1 (0.58) ALDH1A1GAAMAPTHPGDMEN1

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
CN-115427035-B ENL/AF9 YEATS inhibitors 洛克菲勒大学 2025-04-22 CN disclosed
CN-115427035-A ENL/AF9YEATS inhibitors 洛克菲勒大学 2022-12-02 CN disclosed
EP-4076440-A1 INHIBITORS OF ENL/AF9 YEATS The Rockefeller University (US) 2022-10-26 EP disclosed