SCHEMBL8072062

SCHEMBL8072062

C=C(C)C(=O)OCc1ccc(N(CC)CC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
ALDH1A1 P00352 8/20 0.43
TSHR P16473 4/20 0.43
NOX1 Q9Y5S8 3/20 0.43
AOC3 Q16853 1/20 0.42
ESRRG P62508 2/20 0.42
ESRRB O95718 1/20 0.42
POLB P06746 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 3/20 0.41
MCL1 Q07820 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 2/20 0.40
CNR2 P34972 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40

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
SCHEMBL2602527 0.89 ALDH1A1 (0.42) MAPTALDH1A1TSHRPOLBMEN1
SCHEMBL8063529 0.88 ESRRG (0.44) MAPTALDH1A1TSHRESRRGMEN1
SCHEMBL8077288 0.85 TSHR (0.43) MAPTALDH1A1TSHRESRRGPOLB
SCHEMBL254038 0.85 ALDH1A1 (0.50) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL1468923 0.84 ALDH1A1 (0.55) MAPTALDH1A1TSHRNOX1GAA
SCHEMBL11987081 0.83 MAOB (0.41) MAPTALDH1A1TSHRPOLBGAA
SCHEMBL6140097 0.83 ALDH1A1 (0.49) MAPTALDH1A1TSHRKMT2AGAA
SCHEMBL2602469 0.83 ALDH1A1 (0.49) MAPTALDH1A1TSHRKMT2AGAA
SCHEMBL9915735 0.83 MAOB (0.41) MAPTALDH1A1TSHRPOLBGAA
SCHEMBL22360623 0.82 ALDH1A1 (0.39) MAPTALDH1A1TSHRESRRGPOLB

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
US-6033819-A FIXABLE COMPONENT HAS A MICRO PHASE SEPARATION STRUCTURE OF A LIQUID CONTINUOUS PHASE AND A DISPERSE PHASE CONTAINING A RESIN AND HAVING A GLASS TRANSITION TEMPERATURE OF NOT HIGHER THAN 20 DEGREES, CONTAINING A BLOCK OR GRAFT POLYMER FUJI XEROX CO., LTD. (JP) 2000-03-07 US disclosed
US-4526932-A Copolymer containing N-coordinated triorganotin compound NITTO KASEI CO., LTD. (JP) 1985-07-02 US disclosed
EP-0091039-A2 Anti-fouling agent Nitto Kasei Co., Ltd. (JP) 1983-10-12 EP disclosed