SCHEMBL7361208

SCHEMBL7361208

CC(C)(C)OC(=O)OC(=O)CNc1ccc(CC(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.43
FFAR1 O14842 3/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
MITF O75030 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL4615301 0.89 NR1H4 (0.47) NR1H4FFAR1KDM4EPOLBMITF
SCHEMBL16355781 0.80 MAPT (0.43) POLBSMN1; SMN2KMT2A
SCHEMBL4612953 0.77 SMN1; SMN2 (0.51) KDM4ESMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL1688815 0.76 POLB (0.47) KDM4EPOLBSMN1; SMN2RAB9AMEN1
SCHEMBL11573216 0.75 NR1H4 (0.45) NR1H4FFAR1KDM4EPOLBMITF
SCHEMBL21554546 0.74 CA2 (0.50) NR1H4FFAR1KDM4EPOLBHSD17B10
SCHEMBL9273630 0.74 MALT1 (0.47) NR1H4FFAR1KDM4EPOLBMITF
SCHEMBL9285787 0.74 MITF (0.45) NR1H4FFAR1KDM4EPOLBMITF
SCHEMBL13611310 0.74 FFAR1 (0.59) NR1H4FFAR1KDM4EPOLBSMN1; SMN2
SCHEMBL977842 0.74 PTGDR2 (0.60) NR1H4FFAR1KDM4EPOLBMITF

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
EP-1192132-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed
WO-2000076971-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed