SCHEMBL9554385

SCHEMBL9554385

O=C(O[C@@H](Cc1ccccc1)C(=O)O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.57
ACE P12821 1/20 0.56
KLK7 P49862 1/20 0.51
PPARG P37231 15/20 0.50
PPARA Q07869 13/20 0.50

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
SCHEMBL10509970 0.86 KLK7 (0.48) SRRKLK7PPARGPPARA
SCHEMBL22767674 0.84 PPARG (0.55) ACEKLK7PPARGPPARA
SCHEMBL359777 0.84 PPARG (0.51) SRRACEKLK7PPARGPPARA
SCHEMBL359778 0.84 PPARG (0.51) SRRACEKLK7PPARGPPARA
SCHEMBL360652 0.81 KLK7 (0.68) KLK7
SCHEMBL360653 0.81 KLK7 (0.68) KLK7
SCHEMBL28278431 0.81 SRR (0.59) SRRACEPPARGPPARA
SCHEMBL352986 0.81 SRR (0.59) SRRACEPPARGPPARA
SCHEMBL10407749 0.81 SRR (0.59) SRRACEPPARGPPARA
SCHEMBL359759 0.79 KLK7 (0.57) KLK7PPARGPPARA

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-5250517-A Hypotensive and cardiotonic agents; cardiac insufficiency HOFFMANN-LA ROCHE INC. (US) 1993-10-05 US disclosed