SCHEMBL3972378

SCHEMBL3972378

O=C(O)COCCOCCOc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.64
PKM P14618 1/20 0.56
PARP10 Q53GL7 1/20 0.53
ALDH1A1 P00352 4/20 0.51
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
RECQL P46063 1/20 0.50
THRB P10828 1/20 0.50
KCNA3 P22001 1/20 0.50
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FFAR1 O14842 1/20 0.49
PTK2B Q14289 1/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
MEN1 O00255 1/20 0.47
PTPN7 P35236 1/20 0.47
PTPN12 Q05209 1/20 0.47

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
SCHEMBL5638797 0.98 ALOX15 (0.67) ALOX15PKMPARP10ALDH1A1RAB9A
SCHEMBL2116281 0.90 ALOX15 (0.54) ALOX15PKMPARP10ALDH1A1MAPT
SCHEMBL5637777 0.89 ALOX15 (0.64) ALOX15PKMPARP10ALDH1A1RECQL
SCHEMBL809992 0.86 ALOX15 (0.61) ALOX15PKMALDH1A1MAPTKMT2A
SCHEMBL22266179 0.85 PARP10 (0.59) ALOX15PKMPARP10ALDH1A1RAB9A
SCHEMBL22266208 0.85 PARP10 (0.59) ALOX15PKMPARP10ALDH1A1RAB9A
SCHEMBL22266215 0.85 PARP10 (0.59) ALOX15PKMPARP10ALDH1A1RAB9A
SCHEMBL26383056 0.85 PARP10 (0.59) ALOX15PKMPARP10ALDH1A1RAB9A
SCHEMBL12223524 0.85 PKM (0.56) ALOX15PKMPARP10ALDH1A1RECQL
SCHEMBL5638782 0.85 PKM (0.56) ALOX15PKMPARP10ALDH1A1RECQL

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-2009051909-A1 COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR CELLULAR PROCESSING AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 WO disclosed