SCHEMBL3548328

SCHEMBL3548328

COc1ccc(C(=O)c2ccc(F)c(C=O)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
GAA P10253 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 3/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MAOB P27338 1/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49

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
SCHEMBL5107365 0.83 ALDH1A1 (0.69) HPGDGAAALDH1A1MAPTRAB9A
SCHEMBL6113460 0.82 HPGD (0.62) HPGDGAAALDH1A1MAPTRAB9A
SCHEMBL15697516 0.81 ATM (0.52) HPGDALDH1A1MAPTRAB9AMEN1
SCHEMBL387186 0.80 ERN1 (0.61) ALDH1A1MAPTLMNANFE2L2KDM4E
SCHEMBL459873 0.78 ERN1 (0.62) HPGDGAAALDH1A1MAPTMEN1
SCHEMBL8943686 0.77 MAPT (0.64) HPGDGAAALDH1A1MAPTRAB9A
SCHEMBL6441737 0.76 ALDH1A1 (0.73) HPGDGAAALDH1A1MAPTRAB9A
SCHEMBL9418310 0.76 RXFP1 (0.79) HPGDGAAALDH1A1MAPTRAB9A
SCHEMBL51509 0.76 RXFP1 (0.79) HPGDGAAALDH1A1MAPTRAB9A
SCHEMBL25688773 0.76 CYP1A2 (0.53) HPGDGAAALDH1A1MAPTRAB9A

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-7807692-B2 Antidiabetic oxazolidinediones and thiazolidinediones MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed