SCHEMBL9446902

SCHEMBL9446902

CC(Cl)CC=CC=CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.43
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRG1 Q8N1C3 2/20 0.35
GABRG3 Q99928 2/20 0.35
GABRQ Q9UN88 2/20 0.35
TSHR P16473 3/20 0.33

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
SCHEMBL9446891 0.85
SCHEMBL4407971 0.83 PPARA (0.46) PPARAACHEBACE1GABRPGABRD
SCHEMBL5568055 0.83 PPARA (0.46) PPARAACHEBACE1GABRPGABRD
SCHEMBL6866865 0.83 PPARA (0.46) PPARAACHEBACE1GABRPGABRD
SCHEMBL4407967 0.83 PPARA (0.46) PPARAACHEBACE1GABRPGABRD
SCHEMBL17866776 0.79 PPARA (0.43) PPARAACHEBACE1GABRPGABRD
SCHEMBL17866774 0.79 PPARA (0.43) PPARAACHEBACE1GABRPGABRD
SCHEMBL11835660 0.72 BLM (0.46) PPARAACHEBACE1BLMALDH1A1
SCHEMBL11835568 0.72 PPARA (0.38) PPARAACHEBACE1GABRPGABRD
SCHEMBL11835563 0.72 PPARA (0.38) PPARAACHEBACE1GABRPGABRD

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-5196567-A Analgesics, antiinflammatory, antipyretic, fewer side effects KAKEN PHARMACEUTICAL CO., LTD. (JP) 1993-03-23 US disclosed
US-4766148-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS KAKEN PHARMACEUTICAL CO., LTD. (JP) 1988-08-23 US disclosed
EP-0103265-B1 BIPHENYLYLPROPIONIC ACID DERIVATIVE, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Kaken Pharmaceutical Co., Ltd. (JP) 1986-12-03 EP disclosed
EP-0103265-A2 Biphenylylpropionic acid derivative, process for preparing the same and pharmaceutical composition containing the same Kaken Pharmaceutical Co., Ltd. (JP) 1984-03-21 EP disclosed