SCHEMBL4550641

SCHEMBL4550641

CCCCC(C)(Oc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.54
PPARG P37231 7/20 0.54
ADORA3 P0DMS8 1/20 0.47
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
LTA4H P09960 1/20 0.45
HDAC3 O15379 1/20 0.44
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
PLA2G4B P0C869 1/20 0.44

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
SCHEMBL3966243 0.95 PPARA (0.52) PPARAPPARGADORA3TP53TSHR
SCHEMBL29129794 0.94 PPARG (0.51) PPARAPPARGTP53TSHRPSEN1
SCHEMBL8935937 0.90 PPARG (0.53) PPARAPPARGADORA3
SCHEMBL82055 0.90 PPARG (0.53) PPARAPPARGADORA3
SCHEMBL28567745 0.89 ESR1 (0.49) PPARAPPARGADORA3TP53TSHR
SCHEMBL28489847 0.85 PPARG (0.52) PPARAPPARGADORA3PSEN1PSEN2
SCHEMBL9417313 0.83 PPARA (0.53) PPARAPPARGADORA3
SCHEMBL1960387 0.82 PPARG (0.62) PPARAPPARGADORA3
SCHEMBL28845860 0.81 S1PR4 (0.48) PPARAPPARGTP53TSHRPSEN1
SCHEMBL5514895 0.81 PPARG (0.43) PPARAPPARGLTA4HHDAC3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10888839-B2 Average-density-adjustable structure, and material change and selective bonding process using same KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2021-01-12 US disclosed
US-20180185818-A1 AVERAGE-DENSITY-ADJUSTABLE STRUCTURE, AND MATERIAL CHANGE AND SELECTIVE BONDING PROCESS USING SAME KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2018-07-05 US disclosed
EP-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 WO disclosed