SCHEMBL2774019

SCHEMBL2774019

Cc1nc(-c2ccc(OCc3c(C(C)C)cnn3-c3c(Cl)cccc3Cl)cc2)sc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.54
TARBP2 Q15633 2/20 0.53
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.42
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
XDH P47989 3/20 0.39
ABCC4 O15439 1/20 0.39
ABCB11 O95342 1/20 0.39
PGR P06401 1/20 0.39
CHRM1 P11229 1/20 0.39
PDE4A P27815 1/20 0.39
BLVRB P30043 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
PTPN11 Q06124 1/20 0.38

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
SCHEMBL2772857 0.89 NR1H4 (0.55) NR1H4TARBP2RAB9ASMN1; SMN2KDM4E
SCHEMBL2771135 0.82 NR1H4 (0.57) NR1H4RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL2771697 0.77 NR1H4 (0.63) NR1H4
SCHEMBL2773254 0.76 NR1H4 (0.52) NR1H4
SCHEMBL2771465 0.76 NR1H4 (0.64) NR1H4RAB9ANPC1PPARD
SCHEMBL2774467 0.76 NR1H4 (0.57) NR1H4
SCHEMBL2773870 0.76 NR1H4 (0.55) NR1H4PPARD
SCHEMBL2773272 0.76 NR1H4 (0.57) NR1H4
SCHEMBL2770414 0.76 NR1H4 (0.57) NR1H4RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL2771659 0.76 NR1H4 (0.61) NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP disclosed