SCHEMBL9618645

SCHEMBL9618645

CC(=O)c1cc(O)c(Cl)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.40
POLB P06746 2/20 0.40
APEX1 P27695 1/20 0.40
HPGD P15428 6/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NSD2 O96028 1/20 0.39
MCL1 Q07820 1/20 0.39
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 2/20 0.37
CYP2C19 P33261 2/20 0.36

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
SCHEMBL17071867 0.85 POLB (0.43) POLBAPEX1HPGDTSHRMAPT
SCHEMBL690412 0.83 POLB (0.46) POLBAPEX1HPGDTSHRMAPT
SCHEMBL29997409 0.83 POLB (0.46) POLBAPEX1HPGDTSHRMAPT
SCHEMBL15495179 0.83 ALOX15 (0.47) POLBHPGDTSHRHSD17B10MAPT
SCHEMBL7069337 0.82 KEAP1 (0.46) HPGDTSHRHSD17B10MAPTMEN1
SCHEMBL9533708 0.81 HPGD (0.50) HSP90AA1POLBHPGDTSHRHSD17B10
SCHEMBL24445879 0.81 MEN1 (0.42) POLBHPGDTSHRMAPTMEN1
SCHEMBL2075295 0.80 KDM4E (0.42) POLBAPEX1HPGDTSHRMAPT
SCHEMBL9617792 0.79 CA12 (0.44) POLBAPEX1HPGDTSHRMAPT
SCHEMBL6719734 0.79 NPC1 (0.51) POLBHPGDMAPTMEN1KMT2A

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
JP-4356438-A None JP disclosed
JP-H04356438-A METHOD FOR PRODUCING ACETOPHENONE COMPOUNDS AND INTERMEDIATE THEREFOR AND METHOD FOR PRODUCING THE SAME NIPPON NOHYAKU CO LTD 1992-12-10 JP disclosed