SCHEMBL7938900

SCHEMBL7938900

CCS(=O)(=O)CC.CN1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.32
CASP1 P29466 1/20 0.32
BRCA1 P38398 1/20 0.32
CASP7 P55210 1/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3621290 0.84 TNF (0.34) MEN1KMT2AUSP2CASP1BRCA1
SCHEMBL7941692 0.73 HSPA1A (0.41) MEN1KMT2ACASP1CASP7ALDH1A1
SCHEMBL12869405 0.72 CASP3 (0.31) MAPT
SCHEMBL18535556 0.70 ALDH1A1 (0.31) MEN1KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL9142945 0.70 CGAS (0.31)
SCHEMBL7567498 0.69 F2 (0.43) MEN1KMT2AUSP2ALDH1A1MAPT
SCHEMBL8846019 0.67 TNF (0.33)
SCHEMBL12748809 0.67 NPC1 (0.31) ALDH1A1MAPTMAPK1
SCHEMBL9147198 0.67 HSD17B10 (0.36) HSD17B10
SCHEMBL8369799 0.65 CA1 (0.35) ALDH1A1MAPTMAPK1

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
US-6191307-B1 Process for making benzoic acids ALBEMARLE CORPORATION 2001-02-20 US disclosed