SCHEMBL22700779

SCHEMBL22700779

Nc1ccc(Cc2ccc(NC(=O)OCCOC(=O)Nc3ccc(Cc4ccc(N)cc4)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
NPC1 O15118 6/20 0.50
RECQL P46063 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 2/20 0.49
MAPT P10636 3/20 0.48
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
BLM P54132 1/20 0.47
CASP6 P55212 1/20 0.47
GFER P55789 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SAE1 Q9UBE0 1/20 0.45

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
SCHEMBL27101330 0.92 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2NPC1RECQLALDH1A1
SCHEMBL4237996 0.91 SMN1; SMN2 (0.62) RAB9ASMN1; SMN2NPC1ALDH1A1MAPK1
SCHEMBL10875405 0.88 RAB9A (0.64) RAB9ASMN1; SMN2NPC1RECQLALDH1A1
SCHEMBL10895369 0.86 NPC1 (0.58) RAB9ASMN1; SMN2NPC1ALDH1A1MAPK1
SCHEMBL11138867 0.86 NPC1 (0.58) RAB9ASMN1; SMN2NPC1ALDH1A1MAPK1
SCHEMBL11133582 0.86 NPC1 (0.58) RAB9ASMN1; SMN2NPC1ALDH1A1MAPK1
SCHEMBL11134616 0.85 SMN1; SMN2 (0.55) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL764568 0.83 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2NPC1RECQLALDH1A1
SCHEMBL4690673 0.83 POLB (0.61) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL24663651 0.83 SMN1; SMN2 (0.49) RAB9ASMN1; SMN2NPC1RECQLALDH1A1

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-3433296-B1 REACTIVE HOT MELT ADHESIVE COMPOSITION FULLER H B CO (US) 2020-11-25 EP disclosed