SCHEMBL8064208

SCHEMBL8064208

CCc1ccc(C(O)c2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45
GAA P10253 1/20 0.44
AOC3 Q16853 1/20 0.43
HTT P42858 1/20 0.42
TRPA1 O75762 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
ALOX5 P09917 1/20 0.39
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
IDO1 P14902 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
SCHEMBL8064901 0.82 TSHR (0.42) LMNAALDH1A1L3MBTL1TDP1TSHR
SCHEMBL13925528 0.82
SCHEMBL597442 0.82 IDO1 (0.46) LMNAALDH1A1ATMAOC3IDO1
SCHEMBL131869 0.82
SCHEMBL5930991 0.81 PTGS1 (0.44) TSHRAOC3HTTTRPA1HTR2A
SCHEMBL6899388 0.81 TP53 (0.54) LMNAALDH1A1L3MBTL1TDP1TSHR
SCHEMBL8075237 0.81 CYP3A4 (0.44) LMNAALDH1A1L3MBTL1TDP1TSHR
Ammonia Solution, Strong SCHEMBL143304 0.79 LMNA (0.70) LMNAALDH1A1L3MBTL1GAAMAPT
SCHEMBL19416437 0.78 LMNA (0.52) LMNAALDH1A1L3MBTL1TDP1TSHR
SCHEMBL8064216 0.77 NR3C1 (0.40) LMNAALDH1A1MAPK1AOC3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814348-B9 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-11-01 EP disclosed
US-6166072-A Amino acid derivatives ALLELIX NEUROSCIENCE, INC. (CA) 2000-12-26 US disclosed
WO-1999034790-A1 GLYCINE TRANSPORT INHIBITORS ALLELIX NEUROSCIENCE, INC. (US) 1999-07-15 WO disclosed