SCHEMBL10923965

SCHEMBL10923965

CC(=O)Oc1c(C(=O)O)sc(C(=O)O)c1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
GPR35 Q9HC97 7/20 0.39
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPK1 P28482 1/20 0.37
TSHR P16473 3/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.33
BCAT2 O15382 1/20 0.33
BACE1 P56817 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL11118424 0.88 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL11076562 0.79 GPR35 (0.36) ALDH1A1HPGDHSD17B10GPR35PKM
SCHEMBL9371037 0.79 GPR35 (0.41) ALDH1A1KDM4EHPGDHSD17B10GPR35
SCHEMBL11118422 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10PKM
SCHEMBL2808132 0.75 GPR35 (0.52) ALDH1A1KDM4EHPGDGPR35PKM
Hydrochloric Acid SCHEMBL11597163 0.73 GPR35 (0.50) ALDH1A1KDM4EHPGDGPR35PKM
SCHEMBL10922178 0.72 NPSR1 (0.34) ALDH1A1GPR35PKMNPSR1RXFP1
SCHEMBL10922180 0.72 NPSR1 (0.33) ALDH1A1KDM4EHPGDGPR35PKM
SCHEMBL9507056 0.70 LMNA (0.44) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL5865884 0.70 LMNA (0.44) ALDH1A1KDM4EHPGDHSD17B10MAPK1

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-0093384-B1 THIOPHENE DERIVATIVES AND FUNGICIDAL COMPOSITION CONTAINING THE SAME UBE INDUSTRIES, LTD. (JP) 1986-06-11 EP disclosed
US-4454131-A FUNGICIDES UBE INDUSTRIES, LTD. (JP) 1984-06-12 US disclosed
EP-0093384-A1 Thiophene derivatives and fungicidal composition containing the same UBE INDUSTRIES, LTD. (JP) 1983-11-09 EP disclosed