SCHEMBL7072089

SCHEMBL7072089

O=C(O)/C(F)=C/c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SRD5A2 P31213 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PARP10 Q53GL7 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
AKR1B1 P15121 2/20 0.44
HPGD P15428 1/20 0.44
LTA4H P09960 2/20 0.44
NR1H2 P55055 1/20 0.44
BAX Q07812 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL7072091 1.00 NPC1 (0.47) NPC1RAB9ASRD5A2MEN1ALDH1A1
SCHEMBL31283977 0.85 ATM (0.52) NPC1RAB9AMEN1ALDH1A1LMNA
SCHEMBL3716652 0.82 AKR1C3 (0.56) MEN1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL2914673 0.82 AKR1C3 (0.56) MEN1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL211524 0.82 AKR1C3 (0.56) MEN1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL5376774 0.81 TP53 (0.63) NPC1RAB9ASRD5A2MEN1ALDH1A1
SCHEMBL28933412 0.81 LTA4H (0.50) NPC1RAB9ASRD5A2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL6818657 0.81 AKR1C3 (0.54) MEN1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL7074870 0.80 TUBB4A (0.57) ALDH1A1HPGDTSHR
SCHEMBL7074865 0.80 TUBB4A (0.57) ALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946492-B1 NOVEL 2-FLUOROACRYLIC ACID DERIVATIVES, NOVEL MIXTURES OF HERBICIDES AND ANTIDOTES AND THE USE THEREOF BAYER CROPSCIENCE GMBH (DE) 2003-06-18 EP claimed
CN-111592519-B Fluorine-containing carboxylic acid compound and preparation method thereof 四川大学 2021-03-23 CN disclosed
CN-111592519-A Fluorine-containing carboxylic acid compound and preparation method thereof 四川大学 2020-08-28 CN disclosed
US-20130341574-A1 PHOTOREFRACTIVE COMPOSITION AND DEVICE COMPRISING THE COMPOSITION NITTO DENKO CORPORATION (JP) 2013-12-26 US disclosed
US-20130341573-A1 PHOTOREFRACTIVE COMPOSITION COMPRISING ELECTROLYTES IN A PHOTOREFRACTIVE LAYER AND METHOD OF MAKING THEREOF NITTO DENKO CORPORATION (JP) 2013-12-26 US disclosed
WO-2013075050-A1 PHOTOREFRACTIVE DEVICE CONTAINING CARBON NANOTUBE-DOPED POLYMER LAYERS AND ITS MANUFACTURING METHOD NITTO DENKO CORPORATION (JP) 2013-05-23 WO disclosed
WO-2012116105-A1 A PHOTOREFRACTIVE COMPOSITION AND DEVICE COMPRISING THE COMPOSITION NITTO DENKO CORPORATION (JP) 2012-08-30 WO disclosed
WO-2012116071-A1 PHOTOREFRACTIVE COMPOSITION COMPRISING ELECTROLYTES IN A PHOTOREFRACTIVE LAYER AND METHOD OF MAKING THEREOF NITTO DENKO CORPORATION (JP) 2012-08-30 WO disclosed