SCHEMBL13433605

SCHEMBL13433605

COc1ccc(-c2cccc(CC(=O)O)c2)cc1COC#Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.50
▸ NR1H3 Q13133 2/20 0.50
▸ RXRA P19793 2/20 0.50
▸ PPARD Q03181 4/20 0.44
▸ PTGDR2 Q9Y5Y4 8/20 0.43
▸ FFAR1 O14842 4/20 0.43
▸ TBXA2R P21731 2/20 0.43
▸ PTGDR Q13258 2/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ PTGIR P43119 1/20 0.42
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ PPARA Q07869 1/20 0.41

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
SCHEMBL13433603 0.85 FFAR1 (0.41) NR1H2NR1H3RXRAPPARDPTGDR2
SCHEMBL3416970 0.80 RXRA (0.47) NR1H2NR1H3RXRAPPARDPTGDR2
SCHEMBL3416294 0.77 PTGDR2 (0.69) NR1H2NR1H3RXRAPPARDPTGDR2
SCHEMBL3412374 0.76 NR1H2 (0.50) NR1H2NR1H3RXRAPPARDPTGDR2
SCHEMBL6267349 0.75 PSEN1 (0.64) NR1H2NR1H3RXRAPPARDFFAR1
SCHEMBL3415371 0.75 MGLL (0.51) NR1H2NR1H3RXRAPPARDPTGDR2
SCHEMBL3413762 0.73 NR1H2 (0.55) NR1H2NR1H3RXRAPPARDFFAR1
SCHEMBL3415287 0.73 PTGDR2 (0.64) NR1H2NR1H3RXRAPPARDPTGDR2
SCHEMBL3413908 0.73 RXRA (0.47) NR1H2NR1H3RXRAPPARDPTGDR2
SCHEMBL6719678 0.73 NR1H2 (0.45) NR1H2NR1H3RXRAPPARDPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 — — US disclosed
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 — — US disclosed
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