SCHEMBL2499342

SCHEMBL2499342

CC(C(=O)O)[C@H](CC1CC1)c1cc(F)cc(OCc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
CHRM4 P08173 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
GPR34 Q9UPC5 2/20 0.39
ALOX5 P09917 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KAT6A Q92794 1/20 0.38
RRM1 P23921 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
SCHEMBL2505238 1.00 FFAR1 (0.43) FFAR1KMT2AMEN1CHRM4PSEN1
SCHEMBL2505640 0.85 PSEN1 (0.44) FFAR1KMT2AMEN1PSEN1PSEN2
SCHEMBL2505243 0.85 PSEN1 (0.44) FFAR1KMT2AMEN1PSEN1PSEN2
SCHEMBL3658273 0.81 KMT2A (0.47) FFAR1KMT2AMEN1SMN1; SMN2KAT6A
SCHEMBL3658813 0.81 KMT2A (0.47) FFAR1KMT2AMEN1SMN1; SMN2KAT6A
SCHEMBL2505230 0.79 FFAR1 (0.42) FFAR1KMT2AMEN1GPR34ALOX5
SCHEMBL2499334 0.79 FFAR1 (0.42) FFAR1KMT2AMEN1GPR34ALOX5
SCHEMBL2495828 0.79 HCAR1 (0.35) FFAR1
SCHEMBL2503184 0.79 HCAR1 (0.35) FFAR1
SCHEMBL27830838 0.79 HCAR1 (0.35) FFAR1

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