SCHEMBL3967162

SCHEMBL3967162

NC(CCO)c1cccc(OCCO)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
RECQL P46063 1/20 0.47
CFD P00746 1/20 0.46
TPSB2 P20231 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 2/20 0.40
TSHR P16473 1/20 0.40
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
SCN4A P35499 2/20 0.39
PRSS1 P07477 4/20 0.38
LMNA P02545 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
SCHEMBL3972169 0.92 SMN1; SMN2 (0.45) ALDH1A1RECQLCFDTPSB2SMN1; SMN2
SCHEMBL3972478 0.88 CHEK2 (0.42) ALDH1A1CFDTPSB2SMN1; SMN2KMT2A
SCHEMBL3966429 0.88 TDP1 (0.44) ALDH1A1CFDTPSB2SMN1; SMN2KMT2A
SCHEMBL3967907 0.87 TSHR (0.52) ALDH1A1RECQLSMN1; SMN2KMT2ATSHR
SCHEMBL3968473 0.87 MAPK1 (0.43) ALDH1A1CFDTPSB2SMN1; SMN2KMT2A
SCHEMBL3964690 0.87 CYP1A2 (0.43) ALDH1A1CFDTPSB2SMN1; SMN2KMT2A
SCHEMBL10513076 0.86 ALDH1A1 (0.46) ALDH1A1RECQLSMN1; SMN2KMT2AKDM4E
SCHEMBL3966532 0.86 KMT2A (0.52) CFDTPSB2SMN1; SMN2KMT2A
SCHEMBL8723946 0.85 ALDH1A1 (0.52) ALDH1A1RECQLSMN1; SMN2KMT2AKDM4E
SCHEMBL3706818 0.83 TSHR (0.39) ALDH1A1CFDTPSB2SMN1; SMN2KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091955-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT Acucela, Inc. (US) 2009-08-26 EP disclosed
WO-2009045479-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2009-04-09 WO disclosed