SCHEMBL8104638

SCHEMBL8104638

C=C(C(=O)O)C(=O)c1ccccc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
HPGD P15428 2/20 0.47
MYC P01106 1/20 0.43
GPR52 Q9Y2T5 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 2/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8115300 0.98 ERCC5 (0.49) ERCC5FEN1HPGDMYCGPR52
SCHEMBL8118796 0.98 ERCC5 (0.49) ERCC5FEN1HPGDMYCGPR52
Rubidium SCHEMBL8119226 0.98 ERCC5 (0.49) ERCC5FEN1HPGDMYCGPR52
SCHEMBL9711362 0.83 ERCC5 (0.57) ERCC5FEN1HPGDMYCGPR52
SCHEMBL166031 0.83 ERCC5 (0.57) ERCC5FEN1HPGDMYCGPR52
SCHEMBL8113926 0.82 ERCC5 (0.44) ERCC5FEN1HPGDMYCGPR52
Lithium Ion SCHEMBL8113986 0.82 ERCC5 (0.44) ERCC5FEN1HPGDMYCGPR52
SCHEMBL166603 0.80 HPGD (0.54) ERCC5FEN1HPGDMYCGPR52
SCHEMBL29425530 0.80 HPGD (0.54) ERCC5FEN1HPGDMYCGPR52
SCHEMBL367697 0.79 ERCC5 (0.53) ERCC5FEN1HPGDMYCKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6126855-A Reaction products of lyotropic liquid crystal salt complexes ELLIOTT STANLEY B (US) 2000-10-03 US disclosed
US-5833877-A DIAGMAGNETIC COMPLEX; SUPERCONDUCTORS ELLIOTT STANLEY B (US) 1998-11-10 US disclosed
WO-1998001511-A1 REACTION PROCUCTS OF LYOTROPIC LIQUID CRYSTAL SALT COMPLEXES ELLIOTT STANLEY B (US) 1998-01-15 WO disclosed
US-5595683-A COMPLEX OF METAL SALT OF BENZOYLPROPIONIC ACID, LATTICE MODIFIER, CYCLIZATION, HUMIDITY SENSORS ELLIOTT STANLEY B (US) 1997-01-21 US disclosed
US-5443753-A Reaction products of lyotropic liquid crystal salt complexes ELLIOTT STANLEY B (US) 1995-08-22 US disclosed
US-5354499-A Reaction products of lyotropic liquid crystal salt complexes ELLIOTT STANLEY B (US) 1994-10-11 US disclosed