SCHEMBL8308293

SCHEMBL8308293

COC1CCS(=O)(=O)c2ccc(C(=O)O)c(C)c21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 1/20 0.33
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
VEGFA P15692 1/20 0.31
EPAS1 Q99814 1/20 0.31
TSHR P16473 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 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
SCHEMBL8306439 0.86 ALDH1A1 (0.33) GAAALDH1A1VEGFAEPAS1
SCHEMBL8303167 0.84 TAAR1 (0.32) ALDH1A1
SCHEMBL8400386 0.83
SCHEMBL8403800 0.83
SCHEMBL9004040 0.82 HPD (0.32) ALDH1A1LMNA
SCHEMBL6725615 0.82 VEGFA (0.39) RYR2GAAVEGFAEPAS1DDB1
SCHEMBL8304037 0.78
SCHEMBL8900556 0.77 ABCC1 (0.30)
SCHEMBL9004041 0.77
SCHEMBL8941170 0.77

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
EP-0629623-B1 PYRAZOLE DERIVATIVE IDEMITSU KOSAN CO (JP) 1999-05-19 EP disclosed
EP-0810227-A1 ISOXAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-12-03 EP disclosed
US-5587484-A HALOGENATION; OXIDATION; SULFONATION; HERBICIDES IDEMITSU KOSAN CO., LTD. (JP) 1996-12-24 US disclosed
US-5468722-A Herbicides for corn, wheat, barley IDEMITSU KOSAN CO., LTD. (JP) 1995-11-21 US disclosed
EP-0629623-A1 PYRAZOLE DERIVATIVE IDEMITSU KOSAN COMPANY LIMITED (JP) 1994-12-21 EP disclosed