SCHEMBL24319562

SCHEMBL24319562

COC(=O)c1ccc(OC[C@H]2CO2)cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 3/20 0.46
HIF1A Q16665 2/20 0.46
CYP3A4 P08684 2/20 0.46
PKM P14618 2/20 0.43
MAPT P10636 4/20 0.42
HPGD P15428 3/20 0.42
CYP1A2 P05177 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
PPARG P37231 1/20 0.42
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL10911834 0.85 ALDH1A1 (0.51) TP53SMN1; SMN2ALDH1A1TSHRHIF1A
SCHEMBL21197712 0.85 PARP10 (0.48) TP53SMN1; SMN2ALDH1A1TSHRHIF1A
SCHEMBL21197713 0.85 PARP10 (0.48) TP53SMN1; SMN2ALDH1A1TSHRHIF1A
SCHEMBL22988780 0.85 PARP10 (0.48) TP53SMN1; SMN2ALDH1A1TSHRHIF1A
SCHEMBL4441810 0.83 CA12 (0.53) TP53SMN1; SMN2ALDH1A1TSHRHIF1A
SCHEMBL24319688 0.81 KDM4E (0.40) TP53SMN1; SMN2ALDH1A1TSHRCYP3A4
SCHEMBL7092195 0.81 TSHR (0.49) TP53SMN1; SMN2ALDH1A1TSHRHIF1A
SCHEMBL16628428 0.79 ALDH1A1 (0.44) TP53SMN1; SMN2ALDH1A1TSHRHIF1A
SCHEMBL17197313 0.78 CYP1A2 (0.56) TP53SMN1; SMN2ALDH1A1CYP3A4MAPT
SCHEMBL6617932 0.78 ALDH1A1 (0.59) TP53SMN1; SMN2ALDH1A1TSHRHIF1A

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-2022047145-A1 RAPIDLY ACCELERATING FIBROSARCOMA PROTEIN DEGRADING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2022-03-03 WO disclosed