SCHEMBL20508992

SCHEMBL20508992

O=C(CC(=O)c1ccccc1F)c1ccccc1F

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.74
ERCC5 P28715 1/20 0.74
FEN1 P39748 1/20 0.74
CES2 O00748 1/20 0.62
CES1 P23141 1/20 0.62
ALDH1A1 P00352 2/20 0.58
ALOX15 P16050 1/20 0.58
GAA P10253 1/20 0.57
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
TDP1 Q9NUW8 1/20 0.55
NPC1 O15118 5/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 3/20 0.53
CTNNB1 P35222 2/20 0.53
WNT3A P56704 2/20 0.53
ALOX12 P18054 2/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL28367309 0.90 MEN1 (0.67) PTPN1ERCC5FEN1CES2CES1
SCHEMBL5691811 0.89 PTPN1 (0.72) PTPN1ERCC5FEN1CES2CES1
SCHEMBL6602830 0.87 PTPN1 (0.65) PTPN1ERCC5FEN1CES2CES1
SCHEMBL30089515 0.86 CTNNB1 (0.68) PTPN1ERCC5FEN1CES2CES1
SCHEMBL3692544 0.84 PTPN1 (0.61) PTPN1ERCC5FEN1CES2CES1
SCHEMBL13212963 0.84 PTPN1 (0.61) PTPN1ERCC5FEN1CES2CES1
SCHEMBL1924959 0.84 PTPN1 (0.61) PTPN1ERCC5FEN1CES2CES1
SCHEMBL30395419 0.84 PTPN1 (0.61) PTPN1ERCC5FEN1CES2CES1
SCHEMBL8343202 0.84 CES2 (0.60) PTPN1ERCC5FEN1CES2CES1
SCHEMBL14732971 0.84 CTNNB1 (0.61) PTPN1ERCC5FEN1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240000724-A1 Compositions and Methods for Treatment or Prevention of Oral Mucositis PATHWAYS BIOSCIENCE, LLC 2024-01-04 US claimed
US-20240000724-A1 Compositions and Methods for Treatment or Prevention of Oral Mucositis PATHWAYS BIOSCIENCE, LLC 2024-01-04 US disclosed
US-11786483-B2 Compositions and methods for treatment or prevention of oral mucositis PATHWAYS BIOSCIENCE, LLC (US) 2023-10-17 US disclosed
US-20200206156-A1 Compositions and Methods for Treatment or Prevention of Oral Mucositis PATHWAYS BIOSCIENCE, LLC 2020-07-02 US disclosed
US-20180271803-A1 COMPOSITIONS AND METHODS FOR TREATMENT OR PREVENTION OF ORAL MUCOSITIS PATHWAYS BIOSCIENCE, LLC 2018-09-27 US disclosed