SCHEMBL7794050

SCHEMBL7794050

CN(C)C(=S)Oc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 7/20 0.56
CASP6 P55212 1/20 0.53
TSHR P16473 2/20 0.52
TTR P02766 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 4/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
APEX1 P27695 1/20 0.46
PLA2G4B P0C869 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PRSS1 P07477 1/20 0.45

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
SCHEMBL8099482 0.87 ALDH1A1 (0.54) TSHRLMNAMAPTMEN1HPGD
SCHEMBL1982730 0.81 TSHR (0.63) HCAR3CASP6TSHRTTRLMNA
SCHEMBL1534102 0.80 ALDH1A1 (0.48) MAPTMEN1HPGDKMT2AALDH1A1
SCHEMBL7694351 0.79 CASP6 (0.57) HCAR3CASP6TSHRTTRLMNA
SCHEMBL176357 0.78 TTR (0.68) HCAR3CASP6TSHRTTRLMNA
SCHEMBL10896908 0.77 RAB9A (0.59) TSHRTTRLMNAMAPTHPGD
Hydrochloric Acid SCHEMBL9775617 0.77 TTR (0.67) CASP6TSHRTTRLMNAMAPT
SCHEMBL28359563 0.76 CASP6 (0.57) HCAR3CASP6TSHRTTRLMNA
SCHEMBL11799203 0.75 POLB (0.49) HCAR3LMNAMAPTMEN1HPGD
SCHEMBL5064947 0.75 CASP6 (0.51) HCAR3CASP6TSHRTTRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882033-B1 BENZOFURAN-ACRYLIC ACID DERIVATIVES AND THEIR USE AS MODULATORS OF RXRS OR RARS RECEPTORS CT INTERNAT DE RECH S (FR) 2001-08-16 EP disclosed
EP-0882033-A1 BENZOFURAN-ACRYLIC ACID DERIVATIVES AND THEIR USE AS MODULATORS OF RXRS OR RARS RECEPTORS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1998-12-09 EP disclosed
WO-1998024778-A1 BENZOFURAN-ACRYLIC ACID DERIVATIVES AND THEIR USE AS MODULATORS OF RXRS OR RARS RECEPTORS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-06-11 WO disclosed