SCHEMBL27945321

SCHEMBL27945321

CCC(CC)COc1cccc(CC(C)O)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ TAAR1 Q96RJ0 2/20 0.44
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ MME P08473 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ CPA1 P15085 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL27996080 0.93 LMNA (0.40) LMNATAAR1TSHRMAPK1HIF1A
SCHEMBL4568795 0.88 TSHR (0.44) TAAR1TSHRMAPK1HIF1AADRB2
SCHEMBL4568810 0.88 TSHR (0.44) TAAR1TSHRMAPK1HIF1AADRB2
SCHEMBL4568962 0.88 TSHR (0.44) TAAR1TSHRMAPK1HIF1AADRB2
SCHEMBL17031423 0.86 TAAR1 (0.45) TAAR1MMEACECPA1ACE2
SCHEMBL11993594 0.86 TAAR1 (0.45) TAAR1MMEACECPA1ACE2
SCHEMBL2207529 0.84 KMT2A (0.42) TAAR1TSHRMAPK1HIF1AKDM4E
SCHEMBL29818631 0.84 KMT2A (0.42) TAAR1TSHRMAPK1HIF1AKDM4E
SCHEMBL2206745 0.84 HIF1A (0.44) TAAR1TSHRMAPK1HIF1AADRB2
SCHEMBL2206737 0.84 HIF1A (0.44) TAAR1TSHRMAPK1HIF1AADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103553945-A Alkoxy compounds for disease treatment ACUCELA INC 2014-02-05 — — CN disclosed
CN-101889017-B Alkoxy compounds for the treatment of diseases ACUCELA INC 2013-11-27 — — CN disclosed
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