SCHEMBL19263282

SCHEMBL19263282

Cc1ccc(-c2cc(CNC(=O)C3CCCC3)on2)c(-c2cc(-c3cc(CNC(=O)C4CCCC4)on3)ccc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
ABL1 P00519 3/20 0.41
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 3/20 0.39
JAK2 O60674 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
EPHX2 P34913 2/20 0.38
GSK3B P49841 1/20 0.38
MAPK14 Q16539 2/20 0.37
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6407634 0.85 POLB (0.53) POLBRAB9ASMN1; SMN2CYP1A2LMNA
SCHEMBL6404231 0.84 POLB (0.52) POLBRAB9ASMN1; SMN2CYP1A2LMNA
SCHEMBL6403386 0.83 POLB (0.53) POLBRAB9ASMN1; SMN2CYP1A2LMNA
SCHEMBL19263304 0.81 EPHX2 (0.46) POLBABL1RAB9ASMN1; SMN2CYP1A2
SCHEMBL19263310 0.80 SMN1; SMN2 (0.51) POLBSMN1; SMN2CYP1A2LMNAALDH1A1
SCHEMBL19263255 0.79 EGLN2 (0.38) POLBABL1SMN1; SMN2CYP1A2LMNA
SCHEMBL19263303 0.78 HDAC1 (0.44) POLBABL1SMN1; SMN2CYP1A2LMNA
SCHEMBL19263069 0.77 POLB (0.51) POLBSMN1; SMN2CYP1A2LMNAALDH1A1
SCHEMBL19263057 0.76 POLB (0.66) POLBRAB9ASMN1; SMN2CYP1A2LMNA
SCHEMBL19263024 0.76 EPHX2 (0.60) POLBRAB9ASMN1; SMN2CYP1A2LMNA

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
US-9738673-B1 Ferrocene derivative, preparation method and use thereof XIAMEN INSTITUTE OF RARE EARTH MATERIALS (CN) 2017-08-22 US disclosed