SCHEMBL9145771

SCHEMBL9145771

CC[C@H](C)CCCc1cc(C)ccc1S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.33
NR3C2 P08235 2/20 0.33
PGR P06401 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.32
GAA P10253 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MPL P40238 1/20 0.32
RORC P51449 1/20 0.31
POLB P06746 2/20 0.31
CYP2C19 P33261 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 1/20 0.30
ALDH1A1 P00352 3/20 0.30
DPP8 Q6V1X1 2/20 0.30
DPP9 Q86TI2 2/20 0.30
LMNA P02545 2/20 0.30
AMY1A P0DUB6 1/20 0.30
TSHR P16473 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
SCHEMBL11258842 0.96 NR3C1 (0.33) NR3C1NR3C2PGRRAPGEF4GAA
SCHEMBL9812248 0.95 GAA (0.32) NR3C1NR3C2PGRRAPGEF4GAA
SCHEMBL7028791 0.87 PSEN1 (0.37) GAAHSD17B10MPLRORCPOLB
SCHEMBL24225901 0.85 POLB (0.38) GAAPOLBCYP3A4ALOX15ALDH1A1
SCHEMBL31303555 0.84 GAA (0.36) NR3C1NR3C2PGRRAPGEF4GAA
SCHEMBL3575731 0.84 PTPN2 (0.37) GAAHSD17B10MPLCYP2C19CYP3A4
SCHEMBL3577979 0.84 PTPN2 (0.37) GAAHSD17B10MPLCYP2C19CYP3A4
SCHEMBL816601 0.83 GAA (0.39) RAPGEF4GAAHSD17B10MPLPOLB
SCHEMBL30723203 0.83 GAA (0.39) RAPGEF4GAAHSD17B10MPLPOLB
SCHEMBL5718625 0.83 GAA (0.39) RAPGEF4GAAHSD17B10MPLPOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5399701-A Polyfluoroalkyloxypyridinecarboxylic acid and -carboxaldehyde intermediates MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-21 US disclosed
EP-0255236-B1 Fluorine-containing chiral smectic liquid crystals MINNESOTA MINING & MFG (US) 1994-05-04 EP disclosed
US-5254747-A Fluorine-containing chiral smectic liquid crystals MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-10-19 US disclosed
US-4886619-A TILTED OR LATENT TILTED MESOPHASES; BLENDS; FERROELECTRIC DEVICE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-12-12 US disclosed
EP-0255236-A2 Fluorine-containing chiral smectic liquid crystals MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-02-03 EP disclosed