SCHEMBL9331998

SCHEMBL9331998

COc1c(Cl)cc(Cl)c(OC)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.48
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
HSD17B10 Q99714 5/20 0.43
HPGD P15428 4/20 0.43
TSHR P16473 4/20 0.43
CASP1 P29466 1/20 0.43
CYP3A4 P08684 3/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.40
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
NPC1 O15118 1/20 0.38
TTR P02766 1/20 0.38
RECQL P46063 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37

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
SCHEMBL9331965 0.88 HPGD (0.56) TPMTTDP1ALDH1A1KDM4EGAA
SCHEMBL7788686 0.83 HSD17B10 (0.52) TPMTTDP1ALDH1A1KDM4EGAA
SCHEMBL21614379 0.81 TPMT (0.43) TPMTTDP1ALDH1A1KDM4EGAA
SCHEMBL9938269 0.80 TPMT (0.42) TPMTTDP1ALDH1A1KDM4EGAA
SCHEMBL14811454 0.80 TPMT (0.42) TPMTTDP1ALDH1A1KDM4EGAA
SCHEMBL8720641 0.79 TDP1 (0.56) TPMTTDP1ALDH1A1KDM4EGAA
SCHEMBL31213023 0.78 HSD17B10 (0.52) TPMTTDP1ALDH1A1KDM4EGAA
SCHEMBL9331976 0.78 HSD17B10 (0.52) TPMTTDP1ALDH1A1KDM4EGAA
SCHEMBL21614387 0.78 ALDH1A1 (0.42) TPMTTDP1ALDH1A1KDM4EGAA
SCHEMBL9332617 0.77 ALDH1A1 (0.52) TPMTTDP1ALDH1A1KDM4EGAA

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-0396648-B1 A PROCESS FOR THE MICROBIOLOGICAL PURIFICATION OF WATER ALKO LTD (FI) 1994-04-13 EP disclosed
EP-0396648-A1 A PROCESS FOR THE MICROBIOLOGICAL PURIFICATION OF WATER. ALKO LTD (FI) 1990-11-14 EP disclosed
WO-1990001465-A1 A PROCESS FOR THE MICROBIOLOGICAL PURIFICATION OF WATER AND A MICROORGANISM FOR USE IN SAID PROCESS ALKO LTD. (FI) 1990-02-22 WO disclosed