SCHEMBL14432194

SCHEMBL14432194

Cc1cccc(C(=O)CN2CCOCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
ALDH1A1 P00352 8/20 0.57
MAPT P10636 5/20 0.57
MAPK1 P28482 1/20 0.57
LMNA P02545 2/20 0.57
HSD17B10 Q99714 1/20 0.54
HTT P42858 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH3A1 P30838 1/20 0.54
TSHR P16473 2/20 0.52
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CTNNB1 P35222 1/20 0.50
WNT3A P56704 1/20 0.50
CYP2C19 P33261 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL14311506 0.86 ALDH1A1 (0.64) ALDH1A1LMNAMEN1KMT2AALDH3A1
SCHEMBL12123780 0.86 ALDH1A1 (0.69) L3MBTL1ALDH1A1MAPTLMNAHTT
SCHEMBL8053456 0.85 ALDH1A1 (0.67) ALDH1A1LMNAMEN1KMT2AALDH3A1
Hydrochloric Acid SCHEMBL7934870 0.85 ALDH1A1 (0.70) L3MBTL1ALDH1A1MAPTLMNAHTT
SCHEMBL2955689 0.82 ALDH1A1 (0.72) ALDH1A1MAPTLMNAHSD17B10HTT
SCHEMBL14431659 0.82 ALDH1A1 (0.54) L3MBTL1ALDH1A1MAPTMAPK1LMNA
SCHEMBL12947818 0.81 KMT2A (0.69) L3MBTL1ALDH1A1MAPTMAPK1LMNA
SCHEMBL3159167 0.81 ALDH1A1 (0.71) ALDH1A1MAPTLMNAHSD17B10HTT
SCHEMBL13492106 0.78 ALDH1A1 (0.56) L3MBTL1ALDH1A1MAPTMAPK1LMNA
SCHEMBL27290057 0.77 HSD17B10 (0.57) L3MBTL1ALDH1A1MAPTMAPK1LMNA

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-1490371-B1 THIOPHENE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2007-08-15 EP disclosed