SCHEMBL6297586

SCHEMBL6297586

O=c1c(F)cn(C2CCCO2)c(=O)n1S(=O)(=O)CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
ALDH1A1 P00352 6/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
LMNA P02545 2/20 0.48
ESR1 P03372 1/20 0.48
MAPT P10636 1/20 0.48
HSP90AA1 P07900 7/20 0.41
KMT2A Q03164 4/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 3/20 0.33
TP53 P04637 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
APEX1 P27695 1/20 0.31
PI4KA P42356 1/20 0.31

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
SCHEMBL5471315 0.81 HPGD (0.63) HPGDALDH1A1HDAC1HDAC2HDAC6
SCHEMBL5471316 0.81 HPGD (0.63) HPGDALDH1A1HDAC1HDAC2HDAC6
SCHEMBL4886558 0.76 LMNA (0.57) HPGDALDH1A1HDAC1HDAC2HDAC6
SCHEMBL11098296 0.75 HPGD (0.60) HPGDALDH1A1HDAC1HDAC2HDAC6
SCHEMBL27244485 0.75 ALDH1A1 (0.57) HPGDALDH1A1HDAC1HDAC2HDAC6
SCHEMBL11096886 0.75 HPGD (0.56) HPGDALDH1A1HDAC1HDAC2HDAC6
SCHEMBL27966212 0.73 HDAC1 (0.55) HPGDALDH1A1HDAC1HDAC2HDAC6
SCHEMBL11096840 0.72 HPGD (0.53) HPGDALDH1A1HDAC1HDAC2HDAC6
SCHEMBL27966436 0.72 HDAC1 (0.52) HPGDALDH1A1HDAC1HDAC2HDAC6
SCHEMBL5482495 0.71 HDAC1 (0.56) HPGDALDH1A1HDAC1HDAC2HDAC6

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
WO-2005120577-A2 DERIVATIVES OF CHEMOTHERAPEUTIC AGENTS WITH A FORMALDEHYDE RELEASING MOEITY RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2005-12-22 WO disclosed