SCHEMBL7865702

SCHEMBL7865702

O=C(OC(=O)c1ccccc1-c1ccccc1C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX12 P18054 1/20 0.47
AKR1C3 P42330 1/20 0.47
LMNA P02545 2/20 0.47
F2 P00734 1/20 0.47
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
SLC6A3 Q01959 1/20 0.45
GAA P10253 1/20 0.45
MYC P01106 1/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 2/20 0.44
FOLH1 Q04609 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
HNF4A P41235 1/20 0.42
HTT P42858 2/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL542115 0.92 ALDH1A1 (0.54) CYP3A4CYP2C9ALOX12LMNAALDH1A1
SCHEMBL3822911 0.86 ALDH1A1 (0.58) AKR1C3LMNAF2ALDH1A1ALOX15
SCHEMBL14246822 0.85 BCAT2 (0.53) LMNAF2SLC6A3TSHRL3MBTL1
SCHEMBL28132113 0.85 ALDH1A1 (0.56) AKR1C3LMNAF2ALDH1A1ALOX15
SCHEMBL322998 0.84 LMNA (0.58) AKR1C3LMNAF2ALDH1A1ALOX15
SCHEMBL5183644 0.82 ALDH1A1 (0.58) AKR1C3LMNAF2ALDH1A1ALOX15
SCHEMBL29055923 0.82 LMNA (0.56) AKR1C3LMNAF2ALDH1A1ALOX15
SCHEMBL9956917 0.82 NR4A1 (0.47) CYP3A4CYP2C9LMNAF2ALDH1A1
SCHEMBL28345768 0.81 LMNA (0.50) CYP2C9ALOX12AKR1C3LMNAF2
SCHEMBL52413 0.79 LMNA (0.70) CYP3A4LMNAF2ALDH1A1SLC6A3

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