SCHEMBL9796155

SCHEMBL9796155

CC(=O)OC(CC(C)C)c1cccc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
AOC3 Q16853 1/20 0.42
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
ACP3 P15309 1/20 0.39
PABPC1 P11940 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL16672627 0.84 LMNA (0.45) LMNAAOC3PSEN1PSEN2APH1B
SCHEMBL28343639 0.84 AOC3 (0.43) AOC3MAPK1ALDH1A1
SCHEMBL28343640 0.84 AOC3 (0.43) AOC3MAPK1ALDH1A1
SCHEMBL21625878 0.83 LMNA (0.44) LMNAAOC3ACP3PABPC1APOBEC3A
SCHEMBL765398 0.82 PABPC1 (0.52) LMNAPABPC1APOBEC3AAPOBEC3GALDH1A1
SCHEMBL20179578 0.82 PABPC1 (0.52) LMNAPABPC1APOBEC3AAPOBEC3GALDH1A1
SCHEMBL9796129 0.81 CYP4F2 (0.36) PABPC1APOBEC3AAPOBEC3GMAPTRECQL
SCHEMBL28343199 0.81 ACHE (0.45) LMNAPABPC1APOBEC3AAPOBEC3GMAPT
SCHEMBL28343201 0.81 ACHE (0.45) LMNAPABPC1APOBEC3AAPOBEC3GMAPT
SCHEMBL20179637 0.80 FFAR1 (0.41) CTSL

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-5006534-A Substituted ethers, thioethers and amines for use as lipoxygenase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 US disclosed