SCHEMBL30482121

SCHEMBL30482121

O=C(N[C@@H]1CCC[C@H]1O)OCc1ccccc1.O=C(N[C@@H]1CCC[C@H]1OC(F)F)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.49
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
CPB1 P15086 2/20 0.45
TSHR P16473 1/20 0.44
EPHX1 P07099 1/20 0.44
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
TACR1 P25103 2/20 0.43
DPP4 P27487 1/20 0.41
KCNH2 Q12809 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
CTSL P07711 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL25375808 0.97 CASP3 (0.47) CASP3ALDH1A1GAACPB1TSHR
SCHEMBL30482174 0.94 CASP3 (0.53) CASP3ALDH1A1GAACPB1TSHR
SCHEMBL30963623 0.94 CASP3 (0.53) CASP3ALDH1A1GAACPB1TSHR
SCHEMBL19086685 0.94 CASP3 (0.53) CASP3ALDH1A1GAACPB1TSHR
SCHEMBL25376757 0.88 CASP3 (0.48) CASP3ALDH1A1GAACPB1TSHR
SCHEMBL5896895 0.87 ALDH1A1 (0.57) CASP3ALDH1A1GAACPB1TSHR
SCHEMBL5896898 0.87 ALDH1A1 (0.57) CASP3ALDH1A1GAACPB1TSHR
SCHEMBL31064941 0.87 ALDH1A1 (0.57) CASP3ALDH1A1GAACPB1TSHR
SCHEMBL5897658 0.87 ALDH1A1 (0.57) CASP3ALDH1A1GAACPB1TSHR
SCHEMBL5897664 0.87 ALDH1A1 (0.57) CASP3ALDH1A1GAACPB1TSHR

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-4469438-A1 COMPOUNDS AND METHODS OF USE Tango Therapeutics, Inc. (US) 2024-12-04 EP disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed