SCHEMBL20625879

SCHEMBL20625879

C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCOOC(=O)C=C)cc3)cc2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.39
THRB P10828 1/20 0.39
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PRSS1 P07477 1/20 0.36
ACR P10323 1/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL30776028 0.96 MAPT (0.42) MAPTKMT2ANPC1LMNAHTT
SCHEMBL30776057 0.95 MAPT (0.41) MAPTKMT2ANPC1LMNAHTT
SCHEMBL18168776 0.95 MAPT (0.41) MAPTKMT2ANPC1LMNAHTT
SCHEMBL102915 0.94 THRB (0.44) MAPTKMT2ATHRBNPC1LMNA
SCHEMBL29809767 0.94 THRB (0.44) MAPTKMT2ATHRBNPC1LMNA
SCHEMBL18269140 0.93 MAPT (0.38) MAPTKMT2ATHRBNPC1LMNA
SCHEMBL19078821 0.93 THRB (0.43) MAPTKMT2ATHRBNPC1LMNA
SCHEMBL17721435 0.93 HTT (0.44) MAPTKMT2ATHRBNPC1LMNA
SCHEMBL20883271 0.93 NPC1 (0.44) MAPTKMT2ATHRBNPC1LMNA
SCHEMBL9106590 0.93 HTT (0.44) MAPTKMT2ATHRBNPC1LMNA

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
US-10174255-B2 Thermosetting composition with photo-alignment property, alignment layer, substrate with alignment layer, retardation plate, and device DAI NIPPON PRINTING CO., LTD. (JP) 2019-01-08 US disclosed