SCHEMBL9669402

SCHEMBL9669402

CC(C)C(c1ccc(F)cc1)C(N)(C(=O)O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
DPP4 P27487 2/20 0.36
DPP9 Q86TI2 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FFAR1 O14842 1/20 0.36
AOC3 Q16853 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 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
SCHEMBL9668295 0.84 FFAR2 (0.41) CYP2D6CYP1A2FFAR1CYP2C9HIF1A
SCHEMBL9669142 0.78 ALDH1A1 (0.38) CYP2D6DPP4DPP9DPP7KDM4E
SCHEMBL9669476 0.77 GRM2 (0.37) DPP4DPP9DPP7KDM4EALDH1A1
SCHEMBL9668337 0.76 ALDH1A1 (0.36) KDM4EALDH1A1AOC3HTT
SCHEMBL9669400 0.74 GRN (0.37) CYP2D6CYP1A2ALDH1A1CYP2C9HIF1A
SCHEMBL9669450 0.73 ALDH1A1 (0.38) CYP2D6DPP4DPP9DPP7KDM4E
SCHEMBL19368215 0.70 AOC3 (0.38) ALDH1A1AOC3HTTHDAC3HDAC4
SCHEMBL9669215 0.70 CYP2C9 (0.38) CYP2D6CYP1A2FFAR1AOC3HTT
SCHEMBL19368231 0.70 AOC3 (0.39) KDM4EALDH1A1AOC3HTTHDAC3
SCHEMBL27644091 0.68 KDM4E (0.39) CYP2D6CYP1A2DPP4DPP9DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0293351-B1 NEW ARALKYL ESTERS AND PROCESSES FOR THEIR PREPARATION AKTIEBOLAGET ASTRA (SE) 1992-03-25 EP disclosed
US-4990534-A Aralkyl esters and processes for their preparation AKTIEBOLAGET ASTRA (SE) 1991-02-05 US disclosed
EP-0362264-A1 NEW ARALKYL ESTERS AND PROCESSES FOR THEIR PREPARATION AKTIEBOLAGET ASTRA (SE) 1990-04-11 EP disclosed
WO-1988009327-A1 NEW ARALKYL ESTERS AND PROCESSES FOR THEIR PREPARATION AKTIEBOLAGET ASTRA (SE) 1988-12-01 WO disclosed