SCHEMBL31374599

SCHEMBL31374599

CCCC(NC)C(=O)Nc1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.51
HDAC1 Q13547 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CA1 P00915 7/20 0.46
CA2 P00918 7/20 0.46
CA7 P43166 6/20 0.46
CA14 Q9ULX7 6/20 0.46
MAPT P10636 3/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
BRD4 O60885 1/20 0.46
NR1I2 O75469 1/20 0.46
MB P02144 1/20 0.46
CYP1A1 P04798 1/20 0.46
CA3 P07451 1/20 0.46
CYP3A4 P08684 1/20 0.46
RARG P13631 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
SCHEMBL172206 0.85 MEN1 (0.51) SPHK1HSD17B10MAPTMEN1ALDH1A1
SCHEMBL31374603 0.85 MEN1 (0.51) SPHK1HSD17B10MAPTMEN1ALDH1A1
SCHEMBL31374636 0.79 ALDH1A1 (0.53) HDAC1HSD17B10CA1CA2CA7
SCHEMBL30558888 0.78 KCNH2 (0.50) SPHK1CYP3A4SMN1; SMN2FPR2
SCHEMBL27212677 0.78 KCNH2 (0.50) SPHK1CYP3A4SMN1; SMN2FPR2
SCHEMBL20342016 0.77 CA1 (0.68) HDAC1HSD17B10CA1CA2CA7
SCHEMBL23483310 0.77 SPHK1 (0.54) SPHK1CA1CA2CA7CA14
SCHEMBL12144228 0.77 SPHK1 (0.45) SPHK1CA1CA2CA7CA14
Hydrochloric Acid SCHEMBL29383514 0.77 KCNH2 (0.51) SPHK1CYP3A4SMN1; SMN2FPR2
Hydrochloric Acid SCHEMBL27138542 0.75 MEN1 (0.58) SPHK1HDAC1HSD17B10MAPTMEN1

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-2025021140-A1 COMPOUND FOR DEGRADING TARGET PROTEIN 海南先声再明医药股份有限公司 2025-01-30 WO disclosed