SCHEMBL14036384

SCHEMBL14036384

OCCOc1ccc(-c2nc(-c3ccc(OCCO)cc3O)nc(-c3ccc(OCCO)cc3OCCO)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
ALDH2 P05091 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NR1I2 O75469 1/20 0.38
PDK2 Q15119 1/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
APP P05067 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
XDH P47989 1/20 0.36
MAPT P10636 2/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36

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
SCHEMBL4982121 0.94 NPC1 (0.41) S1PR1ALDH2MAOAMAOBNR1I2
SCHEMBL14036590 0.94 NPC1 (0.41) S1PR1ALDH2MAOAMAOBNR1I2
SCHEMBL4977185 0.93 L3MBTL1 (0.43) S1PR1L3MBTL1ALDH2MAOAMAOB
SCHEMBL4979511 0.92 NPC1 (0.46) L3MBTL1NPC1MEN1KMT2AALDH1A1
SCHEMBL12802944 0.89 PDK2 (0.44) S1PR1MAOANR1I2PDK2ALDH1A1
SCHEMBL4978800 0.87 NPC1 (0.46) L3MBTL1ALDH2MAOAMAOBNR1I2
SCHEMBL580702 0.85 MEN1 (0.47) L3MBTL1ALDH2MAOAMAOBNPC1
SCHEMBL17993725 0.85 MAPT (0.47) MAOAMAOBPDK2MEN1KMT2A
SCHEMBL4977473 0.85 NPC1 (0.51) L3MBTL1NPC1MEN1KMT2AALDH1A1
SCHEMBL18012057 0.85 MAPK1 (0.46) ALDH2MAOAMAOBNR1I2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451248-B1 2-HYDROXYPHENYL-S-TRIAZINE CROSSLINKERS FOR POLYMER NETWORKS CIBA HOLDING INC (CH) 2008-11-26 EP disclosed
US-7214742-B2 2-hydroxyphenyl-s-triazine crosslinkers for polymer networks CIBA SPECIALTY CHEMICALS CORP. (US) 2007-05-08 US disclosed
US-7214742-B2 2-hydroxyphenyl-s-triazine crosslinkers for polymer networks CIBA SPECIALTY CHEMICALS CORP. (US) 2007-05-08 US disclosed