SCHEMBL25569359

SCHEMBL25569359

N#CC(=O)c1ccccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
HPGD P15428 6/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CA1 P00915 2/20 0.54
CA9 Q16790 2/20 0.54
CA12 O43570 1/20 0.54
CA2 P00918 1/20 0.54
HMGB1 P09429 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA7 P43166 1/20 0.54
NAPRT Q6XQN6 1/20 0.54
CA14 Q9ULX7 1/20 0.54
HSD17B10 Q99714 3/20 0.52
MAPT P10636 3/20 0.52
TSHR P16473 2/20 0.52
GAA P10253 2/20 0.48
MPO P05164 1/20 0.48
HIF1A Q16665 1/20 0.48

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
SCHEMBL8517295 0.85 ALDH1A1 (0.46) KDM4EHPGDALDH1A1SMN1; SMN2CA1
SCHEMBL6548810 0.79 KDM4E (0.56) KDM4EHPGDALDH1A1SMN1; SMN2CA1
SCHEMBL28677921 0.77 KDM4E (0.54) KDM4EHPGDALDH1A1SMN1; SMN2CA1
Salicylic Acid SCHEMBL27865325 0.76 ALDH1A1 (0.78) KDM4EHPGDALDH1A1SMN1; SMN2CA1
SCHEMBL22551097 0.76 PPIA (0.43) KDM4EALDH1A1CA1CA2MAPT
SCHEMBL28578611 0.76 MAPT (0.50) KDM4EHPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL9579742 0.76 NPC1 (0.43) HPGDALDH1A1SMN1; SMN2HSD17B10LMNA
SCHEMBL6934144 0.76 CES2 (0.58) HPGDALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL4000363 0.76 CES2 (0.58) KDM4EHPGDALDH1A1TSHRKMT2A
SCHEMBL3675034 0.76 HPGD (0.46) KDM4EHPGDALDH1A1SMN1; SMN2HSD17B10

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
EP-4186900-A1 CODRUG THAT DISINTEGRATES IN INTESTINE, PREPARATION THEREFOR, AND USE THEREOF Ennovabio (Zhejiang) Pharmaceuticals Co., Ltd. (CN) 2023-05-31 EP disclosed