SCHEMBL9162014

SCHEMBL9162014

CC(=O)Oc1ccc(CCC(=O)O)cc1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
FFAR4 Q5NUL3 8/20 0.46
CFD P00746 1/20 0.46
FFAR1 O14842 6/20 0.45
CCR5 P51681 1/20 0.44
S1PR1 P21453 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
AKT1 P31749 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
ELANE P08246 1/20 0.41
TRPV1 Q8NER1 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
SCHEMBL7792665 0.85 FFAR1 (0.51) RXRARXRBRXRGFFAR4FFAR1
SCHEMBL10338797 0.83 CCR5 (0.57) FFAR4CFDFFAR1CCR5S1PR1
SCHEMBL7796630 0.83 RXRA (0.49) RXRARXRBRXRGFFAR4FFAR1
SCHEMBL6244085 0.83 GAA (0.45) RXRARXRBRXRGFFAR4FFAR1
SCHEMBL9158455 0.79 FFAR1 (0.55) FFAR4CFDFFAR1CCR5AKT1
SCHEMBL5684832 0.79 PTGS1 (0.61) FFAR4FFAR1CCR5TRPV1
SCHEMBL16516853 0.78 FFAR1 (0.50) RXRARXRBRXRGFFAR4FFAR1
SCHEMBL29567262 0.78 FFAR1 (0.50) RXRARXRBRXRGFFAR4FFAR1
SCHEMBL1537791 0.77 RXRA (0.53) RXRARXRBRXRGFFAR4FFAR1
SCHEMBL25311713 0.76 RXRA (0.51) RXRARXRBRXRGFFAR4FFAR1

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
EP-0640108-A1 MELT-PROCESSABLE LIQUID CRYSTALLINE POLYESTER, PROCESS FOR THE PREPARATION THEREOF AND PRODUCTS PREPARED FROM THE POLYESTER NESTE OY (FI) 1995-03-01 EP disclosed
WO-1993023451-A1 MELT-PROCESSABLE LIQUID CRYSTALLINE POLYESTER, PROCESS FOR THE PREPARATION THEREOF AND PRODUCTS PREPARED FROM THE POLYESTER NESTE OY (FI) 1993-11-25 WO disclosed