SCHEMBL8519013

SCHEMBL8519013

O=S(=O)(c1cccc(S(=O)(=O)C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
CA2 P00918 3/20 0.48
CA1 P00915 2/20 0.48
EPAS1 Q99814 6/20 0.47
ESPL1 Q14674 1/20 0.46
P2RX1 P51575 1/20 0.44
LMNA P02545 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPRZ1 P23471 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL9951665 0.89 CA2 (0.68) ALDH1A1CA2CA1EPAS1
SCHEMBL12860655 0.89 ALDH1A1 (0.48) ALDH1A1CA2CA1EPAS1ESPL1
SCHEMBL1156141 0.89 ALDH1A1 (0.48) ALDH1A1CA2CA1EPAS1ESPL1
SCHEMBL17288903 0.87 ALDH1A1 (0.50) ALDH1A1CA2CA1EPAS1ESPL1
SCHEMBL1272213 0.87 ALDH1A1 (0.50) ALDH1A1CA2CA1EPAS1ESPL1
SCHEMBL28224684 0.86 ALDH1A1 (0.46) ALDH1A1CA2CA1EPAS1ESPL1
SCHEMBL686828 0.85 LMNA (0.61) ALDH1A1CA2CA1EPAS1LMNA
SCHEMBL7937188 0.85 ALDH1A1 (0.48) ALDH1A1CA2CA1EPAS1ESPL1
SCHEMBL21223052 0.85 ALDH1A1 (0.48) ALDH1A1CA2EPAS1ESPL1P2RX1
SCHEMBL21824183 0.85 P2RX1 (0.52) ALDH1A1EPAS1P2RX1MEN1KMT2A

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-5965766-A Process for synthesizing benzoic acids ROHM AND HAAS COMPANY (US) 1999-10-12 US disclosed