SCHEMBL30856532

SCHEMBL30856532

CC(C)(C)OC(=O)CCCOc1cccc(C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.61
PLA2G4B P0C869 2/20 0.56
NR4A2 P43354 2/20 0.52
NR4A1 P22736 1/20 0.52
NR4A3 Q92570 1/20 0.52
NR1H4 Q96RI1 4/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SMPD1 P17405 3/20 0.47
POLB P06746 2/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
TBXAS1 P24557 1/20 0.46
NPC1 O15118 1/20 0.46
CYP2C9 P11712 1/20 0.46
RAB9A P51151 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
SCHEMBL15110304 1.00 KMT2A (0.61) KMT2APLA2G4BNR4A2NR4A1NR4A3
SCHEMBL15110387 0.88 KMT2A (0.57) KMT2APLA2G4BNR4A2NR4A1NR4A3
SCHEMBL30856531 0.88 KMT2A (0.57) KMT2APLA2G4BNR4A2NR4A1NR4A3
SCHEMBL16923977 0.88 KMT2A (0.57) KMT2APLA2G4BNR4A2NR4A1NR4A3
SCHEMBL15110547 0.87 ALDH1A1 (0.55) KMT2ASMN1; SMN2SMPD1POLBNPC1
SCHEMBL25780554 0.86 PRSS1 (0.51) KMT2APLA2G4BSMPD1THRATHRB
SCHEMBL1928759 0.85 KMT2A (0.57) KMT2APLA2G4BNR4A2NR4A1NR4A3
SCHEMBL21577271 0.85 CHRNB2 (0.51) SMN1; SMN2
SCHEMBL16673260 0.84 L3MBTL1 (0.52) KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL13986556 0.83 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2POLBNPC1RAB9A

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
CN-117736134-A Compounds and methods for enhancing degradation of target proteins and other polypeptides by E3 ubiquitin ligases 耶鲁大学 2024-03-22 CN disclosed