SCHEMBL8519581

SCHEMBL8519581

C=CCC(=O)c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.53
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 1/20 0.48
CTNNB1 P35222 4/20 0.46
WNT3A P56704 4/20 0.46
GAA P10253 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
NPC1 O15118 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL31378990 0.82 PTPN1 (0.55) PTPN1ERCC5FEN1CES2CES1
SCHEMBL1125179 0.82 PTPN1 (0.55) PTPN1ERCC5FEN1CES2CES1
SCHEMBL13193363 0.81 CTNNB1 (0.51) PTPN1ERCC5FEN1CES2CES1
SCHEMBL17868847 0.78 CES2 (0.43) PTPN1ERCC5FEN1CES2CES1
SCHEMBL3803604 0.78 KDM4E (0.48) ALDH1A1GAAKMT2AMEN1TDP1
SCHEMBL5544561 0.78 PTPN1 (0.58) PTPN1ERCC5FEN1CES2CES1
SCHEMBL17610252 0.78 KMT2A (0.48) PTPN1ERCC5FEN1CES2CES1
SCHEMBL30089515 0.77 CTNNB1 (0.68) PTPN1ERCC5FEN1CES2CES1
SCHEMBL20508992 0.77 PTPN1 (0.74) PTPN1ERCC5FEN1CES2CES1
SCHEMBL10628115 0.77 CES2 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11060527-A None JP disclosed
JP-H1160527-A PRODUCTION OF OPTICALLY ACTIVE ALPHA-ALKYLFLUOROBENZYL ALCOHOL MITSUBISHI CHEM CORP 1999-03-02 JP disclosed