SCHEMBL31393802

SCHEMBL31393802

CC(C)N(C(=O)C(=O)O)c1ccccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 5/20 0.40
PKM P14618 2/20 0.40
LMNA P02545 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
TP53 P04637 1/20 0.39
TACR1 P25103 2/20 0.39
CDC25A P30304 2/20 0.39
CDC25B P30305 2/20 0.39
MAP2K7 O14733 1/20 0.39
ELANE P08246 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
XBP1 P17861 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 3/20 0.38
FGFR1 P11362 1/20 0.38

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
SCHEMBL8826280 0.81 GPR88 (0.39) SMN1; SMN2KMT2AMEN1ALDH1A1PKM
SCHEMBL8496545 0.81 GPR88 (0.39) SMN1; SMN2KMT2AMEN1ALDH1A1PKM
SCHEMBL31393815 0.77 TACR1 (0.51) SMN1; SMN2KMT2AMEN1ALDH1A1TP53
SCHEMBL24359328 0.76 KMT2A (0.41) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL12985450 0.74 ALDH1A1 (0.59) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL31393793 0.74 GPR88 (0.46) SMN1; SMN2KMT2AMEN1ALDH1A1PKM
Biphenyl SCHEMBL5496359 0.73 KMT2A (0.41) SMN1; SMN2KMT2AMEN1PKMLMNA
SCHEMBL20152515 0.72 CDC25B (0.40) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL8696052 0.72 GPR88 (0.42) SMN1; SMN2KMT2AMEN1ALDH1A1TACR1
SCHEMBL10787360 0.72 KMT2A (0.40) SMN1; SMN2KMT2AMEN1ALDH1A1HSP90AA1

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-119264034-A Photocatalytic synthesis method and application of spiro [ cyclohexane-1, 3 '-indoline ] -2, 5-diene-2' -ketone 河南师范大学 2025-01-07 CN disclosed