SCHEMBL10188136

SCHEMBL10188136

Nc1ccc2c(c1F)OCCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
P4HB P07237 1/20 0.33
TSHR P16473 1/20 0.32
LMNA P02545 2/20 0.32
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32
HTT P42858 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4923363 0.78 MAPT (0.39) MAPTKDM4EGAAALDH1A1ITGB2
SCHEMBL8405592 0.78 ADRA2A (0.46) MAPTKDM4EGAAALDH1A1ITGB2
Hydrochloric Acid SCHEMBL18686536 0.77 MAPT (0.42) MAPTKDM4EGAAALDH1A1ITGB2
SCHEMBL22827024 0.75 MAPT (0.38) MAPTKDM4EGAAALDH1A1ITGB2
SCHEMBL29619656 0.75 MAPT (0.38) MAPTKDM4EGAAALDH1A1ITGB2
SCHEMBL25352397 0.75 ALOX5 (0.44) MAPTKDM4EALDH1A1ITGB2ICAM1
SCHEMBL30438835 0.75 ALOX5 (0.44) MAPTKDM4EALDH1A1ITGB2ICAM1
SCHEMBL2026290 0.75 LMNA (0.38) MAPTKDM4EALDH1A1ITGB2ICAM1
SCHEMBL12116986 0.75 ALDH1A1 (0.38) MAPTKDM4EGAAALDH1A1ITGB2
SCHEMBL9221553 0.75 MAPT (0.39) MAPTKDM4EGAAALDH1A1ITGB2

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
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 WO disclosed