SCHEMBL15463535

SCHEMBL15463535

C=C(C)C(=O)OC(CCCC)COc1ccc(C=CC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
THRB P10828 1/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TP53 P04637 2/20 0.39

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
SCHEMBL28465022 0.85 TDP1 (0.42) TDP1ABCG2ALDH1A1MAPTKMT2A
SCHEMBL28255141 0.85 ALOX5 (0.43) TDP1POLBMAPTKMT2AHTT
SCHEMBL28256299 0.84 POLB (0.53) TDP1POLBHTTTP53
SCHEMBL28466069 0.84 KDM4E (0.48) TDP1ABCG2NPC1KDM4EMAPT
SCHEMBL28043853 0.83 PLA2G4A (0.38) TDP1TAS1R3TAS1R1AKR1C3AKR1C2
SCHEMBL29118724 0.81 ELANE (0.52) TDP1POLBRAB9AALDH1A1MAPT
SCHEMBL6250765 0.80 ALDH1A1 (0.41) TDP1POLBALDH1A1KMT2AHTT
SCHEMBL8084721 0.80 THRB (0.50) TDP1THRBATMPOLBABCG2
SCHEMBL8084722 0.80 THRB (0.50) TDP1THRBATMPOLBABCG2
SCHEMBL19944479 0.79 POLB (0.48) TDP1POLBHTTTP53

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-2695876-A1 Multi-functional monomer having a photocreative group, alignment film for LCD using the monomer, and LCD comprising the alignment film LG Chem Ltd. (KR) 2014-02-12 EP disclosed