SCHEMBL29818805

SCHEMBL29818805

Cc1ccccc1-c1[nH]nnc1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ AKR1B1 P15121 2/20 0.38
▸ GABRR1 P24046 1/20 0.37
▸ FFAR1 O14842 2/20 0.36
▸ PTGS2 P35354 1/20 0.35
▸ RXRA P19793 2/20 0.35
▸ RXRB P28702 2/20 0.35
▸ RXRG P48443 1/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ AGBL2 Q5U5Z8 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ CASP3 P42574 1/20 0.34

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
SCHEMBL28805494 0.81 GAA (0.45) KDM4EGAASMN1; SMN2LMNAMEN1
SCHEMBL1290355 0.77 HPGD (0.41) KDM4EGAASMN1; SMN2LMNAMEN1
Phosphine SCHEMBL8166357 0.76 HPGD (0.40) KDM4EGAASMN1; SMN2LMNAMEN1
SCHEMBL7599243 0.72 GAA (0.38) KDM4EGAASMN1; SMN2LMNAMEN1
SCHEMBL28327759 0.71 GAA (0.46) KDM4EGAASMN1; SMN2LMNAMEN1
SCHEMBL28264086 0.70 ALDH1A1 (0.45) KDM4EGAASMN1; SMN2LMNAMEN1
SCHEMBL9173123 0.70 GAA (0.39) KDM4EGAASMN1; SMN2LMNAMEN1
SCHEMBL2918163 0.69 PIK3CD (0.49) KDM4EGAASMN1; SMN2MAPTNOTUM
SCHEMBL27599916 0.69 GAA (0.44) KDM4EGAASMN1; SMN2LMNAMEN1
SCHEMBL30839322 0.69 GAA (0.41) KDM4EGAASMN1; SMN2LMNAMEN1

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-109928937-B Water-soluble column [ n ] arene and synthesis method thereof 上海大学 2022-08-05 — — CN disclosed
Send feedback