SCHEMBL2505243

SCHEMBL2505243

CC[C@@H](c1cc(F)cc(OCc2ccccc2)c1)C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GPR34 Q9UPC5 2/20 0.42
ALOX5 P09917 2/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
RRM1 P23921 1/20 0.41
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41

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
SCHEMBL2505640 1.00 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2505238 0.85 FFAR1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2499342 0.85 FFAR1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19857059 0.84 KMT2A (0.56) KMT2AMEN1SMN1; SMN2ALOX5MME
SCHEMBL19857060 0.84 KMT2A (0.56) KMT2AMEN1SMN1; SMN2ALOX5MME
SCHEMBL3654240 0.80 FFAR1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3653937 0.80 FFAR1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21323277 0.79 ALOX5 (0.47) KMT2AMEN1LMNAL3MBTL1SMN1; SMN2
SCHEMBL27821048 0.78 KMT2A (0.46) KMT2AMEN1LMNAL3MBTL1SMN1; SMN2
SCHEMBL7811580 0.78 LMNA (0.53) PSEN1PSEN2APH1BNCSTNAPH1A

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-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed