SCHEMBL4036763

SCHEMBL4036763

CC(C)CC(C(=O)NC1CCCCC1)C1(c2ccc(CO)cc2)Nc2ccccc2N1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
TSHR P16473 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 4/20 0.38
EPHX1 P07099 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
EPHX2 P34913 1/20 0.38
CCR1 P32246 1/20 0.37
NR3C2 P08235 1/20 0.37
CTSD P07339 1/20 0.37
MMP1 P03956 1/20 0.37
RAB9A P51151 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
SCHEMBL4041142 0.90 POLB (0.44) POLBTSHRKMT2AMEN1SMN1; SMN2
SCHEMBL4034548 0.89 POLB (0.43) POLBTSHRKMT2AMEN1SMN1; SMN2
SCHEMBL4036474 0.89 POLB (0.43) POLBTSHRKMT2AMEN1SMN1; SMN2
SCHEMBL4035188 0.89 POLB (0.43) POLBTSHRKMT2AMEN1SMN1; SMN2
SCHEMBL4037380 0.88 POLB (0.42) POLBTSHRKMT2AMEN1SMN1; SMN2
SCHEMBL4041915 0.85 SMN1; SMN2 (0.42) TSHRKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4755424 0.85 SMN1; SMN2 (0.42) TSHRKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4043346 0.83 POLB (0.42) POLBTSHRKMT2AMEN1SMN1; SMN2
SCHEMBL4036794 0.82 EPHX2 (0.44) POLBTSHRKMT2AMEN1SMN1; SMN2
SCHEMBL4037580 0.81 TSHR (0.40) POLBTSHRKMT2AMEN1SMN1; SMN2

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-2038259-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP claimed
WO-2008000643-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO claimed
EP-2038259-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP disclosed
WO-2008000643-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO disclosed