SCHEMBL4191237

SCHEMBL4191237

CCC(C)(Sc1cccc(OCCn2c3ccccc3c3ccccc32)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.45
PPARA Q07869 4/20 0.45
PPARD Q03181 1/20 0.45
PSEN1 P49768 5/20 0.42
PSEN2 P49810 5/20 0.42
APH1B Q8WW43 5/20 0.42
NCSTN Q92542 5/20 0.42
APH1A Q96BI3 5/20 0.42
PSENEN Q9NZ42 5/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NTRK1 P04629 1/20 0.41
PDPK1 O15530 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.40
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4194335 0.88 PPARG (0.45) PPARGPPARAPPARDPSEN1PSEN2
SCHEMBL4202548 0.88 PPARG (0.53) PPARGPPARAPPARDPSEN1PSEN2
SCHEMBL4194600 0.83 MCL1 (0.46) PPARGLMNAPKMMAPT
SCHEMBL3383503 0.82 PKM (0.45) PPARGPPARAPPARDPSEN1PSEN2
SCHEMBL4191214 0.76 ADAM17 (0.43) PPARGPPARAPPARDALDH1A1
SCHEMBL4187453 0.76 PPARG (0.53) PPARGPPARAPPARDPSEN1PSEN2
SCHEMBL4187136 0.74 PPARG (0.47) PPARGPPARAPPARD
SCHEMBL4192840 0.72 NR4A2 (0.44) PPARGPPARAKMT2AMEN1PKM
SCHEMBL4185186 0.71 MCL1 (0.48) PPARGLMNAPKMMAPT
SCHEMBL4198883 0.71 MCL1 (0.48) PPARGKMT2AMEN1LMNAPKM

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
EP-1572180-B1 USE OF ALPHA-PHENYLTHIOCARBOXYLIC ACIDS WITH SERUM-GLUCOSE-LOWERING AND SERUM-LIPID-LOWERING ACTIVITY SIGMA TAU IND FARMACEUTI (IT) 2009-02-25 EP claimed