SCHEMBL2495871

SCHEMBL2495871

CC(C(=O)O)[C@H](c1cccc(OCc2ccccc2)c1)c1ccon1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 2/20 0.48
ALOX5 P09917 2/20 0.47
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
MAOB P27338 1/20 0.44
GPR132 Q9UNW8 3/20 0.43
FFAR1 O14842 2/20 0.43
NR4A2 P43354 1/20 0.43
MEN1 O00255 1/20 0.43
BCHE P06276 1/20 0.42
PTGES O14684 1/20 0.42
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
ACACB O00763 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
SCHEMBL2495385 0.81 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AALOX5LMNAHPGD
SCHEMBL2500865 0.81 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AALOX5LMNAHPGD
SCHEMBL2499312 0.81 HIF1A (0.43) LMNATSHRFFAR1
SCHEMBL2495867 0.80 SMN1; SMN2 (0.50) SMN1; SMN2KMT2AALOX5LMNAHPGD
SCHEMBL2499931 0.80 SMN1; SMN2 (0.50) SMN1; SMN2KMT2AALOX5LMNAHPGD
SCHEMBL2986567 0.75 ALOX5 (0.67) SMN1; SMN2KMT2AALOX5LMNAHPGD
SCHEMBL19857059 0.75 KMT2A (0.56) SMN1; SMN2KMT2AALOX5TSHRMAOB
SCHEMBL19857060 0.75 KMT2A (0.56) SMN1; SMN2KMT2AALOX5TSHRMAOB
SCHEMBL12500125 0.73 ALOX5 (0.56) SMN1; SMN2KMT2AALOX5MAOBGPR132
SCHEMBL16871388 0.73 ALOX5 (0.56) SMN1; SMN2KMT2AALOX5MAOBGPR132

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