SCHEMBL7630508

SCHEMBL7630508

CC(C)C(=O)OCc1c(F)cccc1F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.50
MMP2 P08253 4/20 0.50
MMP9 P14780 3/20 0.50
MMP12 P39900 3/20 0.50
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
TGM2 P21980 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.39
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL19765221 0.81 ALDH1A1 (0.54) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL7630628 0.81 MMP1 (0.53) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL7629966 0.81 MMP1 (0.47) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL1709751 0.78 MMP1 (0.50) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL22917350 0.77 MMP1 (0.53) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL6901171 0.77 MMP1 (0.53) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL859498 0.76 MMP1 (0.49) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL13811654 0.76 MMP1 (0.40) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL29655652 0.76 TGM2 (0.52) MMP1MMP2MMP9MMP12TGM2
SCHEMBL17938444 0.76 NPC1 (0.49) ALDH1A1KDM4ETDP1GAALMNA

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
US-6452056-B1 REDUCING FLUORINATED BENZONITRILE TO A BENZYLAMINE WHICH IS REPLACED WITH A HYDROXYL GROUP ASAHI GLASS COMPANY, LIMITED (JP) 2002-09-17 US disclosed
EP-1114809-A1 PROCESS FOR THE PREPARATION OF FLUOROBENZYL DERIVATIVES Asahi Glass Co., Ltd. (JP) 2001-07-11 EP disclosed