SCHEMBL7072098

SCHEMBL7072098

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.55
SRD5A2 P31213 6/20 0.53
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.47
RAB9A P51151 1/20 0.47
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
PGR P06401 1/20 0.45
AKR1C3 P42330 1/20 0.44
MMP1 P03956 1/20 0.44
LTA4H P09960 1/20 0.44
NR1H2 P55055 1/20 0.44
BAX Q07812 1/20 0.44

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
SCHEMBL2914675 0.82 NFE2L2 (0.46) ALDH1A1SMN1; SMN2POLB
SCHEMBL28827764 0.82 NFE2L2 (0.46) ALDH1A1SMN1; SMN2POLB
Fluoride SCHEMBL11179978 0.81 NFE2L2 (0.45) ALDH1A1SMN1; SMN2POLB
SCHEMBL7074876 0.80 CA1 (0.57) PARP10ALDH1A1RAB9A
SCHEMBL7074206 0.79 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2NPC1POLBRAB9A
SCHEMBL9315768 0.79 PARP10 (0.64) PARP10SRD5A2ALDH1A1SMN1; SMN2NPC1
SCHEMBL9316778 0.79 PARP10 (0.64) PARP10SRD5A2ALDH1A1SMN1; SMN2NPC1
Ethane SCHEMBL7067755 0.79 MEN1 (0.44) ALDH1A1POLB
SCHEMBL11687180 0.79 PARP10 (0.55) PARP10SRD5A2ALDH1A1SMN1; SMN2NPC1
SCHEMBL7071041 0.75 CES2 (0.50) ALDH1A1NPC1POLBRAB9AAKR1C3

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 1 patent. 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