SCHEMBL5263995

SCHEMBL5263995

CCc1cc(Br)ccc1CC(NC(=O)O)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 3/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRCP P42785 1/20 0.33
P2RX7 Q99572 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
FPR2 P25090 1/20 0.32

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
SCHEMBL3372476 0.69 LMNA (0.49) LMNATDP1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL7787482 0.67 GABRA1 (0.44) MAPK1HPGDTSHRLMNASMN1; SMN2
SCHEMBL4942619 0.67 PTGDR2 (0.44) MAPK1LMNAMEN1KMT2A
SCHEMBL5263997 0.67 MEN1 (0.47) MAPK1LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL23275495 0.66 SETDB1 (0.47) HPGDHTTSMN1; SMN2L3MBTL1P2RX7
SCHEMBL21606818 0.66 ALOX15 (0.36) MAPK1HPGDTSHRLMNATDP1
SCHEMBL12479615 0.66 MAPK1 (0.56) MAPK1TDP1MAPTRAB9AKDM4E
SCHEMBL23100740 0.65 SMN1; SMN2 (0.56) TSHRLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL23100741 0.65 SMN1; SMN2 (0.56) TSHRLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL27229953 0.65 FPR2 (0.45) HPGDL3MBTL1P2RX7MAPTAAK1

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-1781662-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME Pfizer, Inc. (US) 2007-05-09 EP disclosed
WO-2006018725-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2006-02-23 WO disclosed