SCHEMBL7865705

SCHEMBL7865705

O=C(OC(=O)c1cccc(-c2ccccc2)c1C(=O)O)c1cccc(-c2ccccc2)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.53
FOLH1 Q04609 2/20 0.49
BCAT2 O15382 1/20 0.47
FABP3 P05413 1/20 0.45
FABP4 P15090 1/20 0.45
FABP5 Q01469 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRNB2 P17787 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA4 P43681 2/20 0.42
CDC25B P30305 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SCN1A P35498 2/20 0.40
SCN2A Q99250 2/20 0.40
SCN3A Q9NY46 2/20 0.40
ALOX15 P16050 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
SCHEMBL29057957 0.86 SLC6A3 (0.55) HNF4AKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL31636317 0.86 SLC6A3 (0.55) HNF4AKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL27740045 0.86 HNF4A (0.50) HNF4AFOLH1BCAT2FABP3FABP4
SCHEMBL628030 0.86 HNF4A (0.58) HNF4AFOLH1BCAT2FABP3FABP4
SCHEMBL36146 0.85 HNF4A (0.66) HNF4AFOLH1BCAT2FABP3FABP4
SCHEMBL29376910 0.85 HNF4A (0.66) HNF4AFOLH1BCAT2FABP3FABP4
SCHEMBL29159124 0.85 MAPT (0.54) HNF4AFOLH1BCAT2FABP3FABP4
Bromide SCHEMBL8757513 0.83 HNF4A (0.63) HNF4AFOLH1BCAT2FABP3FABP4
SCHEMBL6661257 0.83 HNF4A (0.63) HNF4AFOLH1BCAT2FABP3FABP4
SCHEMBL2833055 0.83 HNF4A (0.63) HNF4AFOLH1BCAT2FABP3FABP4

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
US-20010023276-A1 Polymeric material, method for its manufacture, and its utilization PREFORM RAUMGLIEDERUNGSSYSTEME GMBH (DE) 2001-09-20 US claimed
US-20010023276-A1 Polymeric material, method for its manufacture, and its utilization PREFORM RAUMGLIEDERUNGSSYSTEME GMBH (DE) 2001-09-20 US disclosed