SCHEMBL7787419

SCHEMBL7787419

OC(Cl)(C(Cl)(Cl)Cl)C(Cl)(Cl)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KCNN4 O15554 2/20 0.38
MAPK1 P28482 3/20 0.37
HIF1A Q16665 1/20 0.37
PGK1 P00558 1/20 0.37
PGK2 P07205 1/20 0.37
ALOX15 P16050 1/20 0.36
CYP2D6 P10635 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP19A1 P11511 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL7804375 0.86 TSHR (0.48) TSHRMAPK1HIF1APGK1PGK2
SCHEMBL9672534 0.80 TSHR (0.58) TSHRCYP1A2CYP2C9CYP2C19PTPN1
SCHEMBL819164 0.80 TSHR (0.65) TSHRCYP1A2CYP2C9CYP2C19PTPN1
SCHEMBL28431632 0.76 TSHR (0.52) TSHRCYP1A2CYP2C9CYP2C19PTPN1
SCHEMBL1396309 0.76 TSHR (0.64) TSHRCYP1A2CYP2C9CYP2C19PTPN1
SCHEMBL9672378 0.76 TSHR (0.52) TSHRCYP1A2CYP2C9CYP2C19PTPN1
SCHEMBL7784486 0.76 TSHR (0.33) TSHRCYP1A2ALDH1A1MAPK1HIF1A
SCHEMBL7787416 0.76 TSHR (0.52) TSHRCYP1A2CYP2C9CYP2C19PTPN1
SCHEMBL30172471 0.75 TSHR (0.58) TSHRCYP1A2CYP2C9CYP2C19PTPN1
SCHEMBL456764 0.75 TSHR (0.58) TSHRCYP1A2CYP2C9CYP2C19PTPN1

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-0779337-B1 FLUORINE-CONTAINING EPOXY RESIN COMPOSITION HIGHLY SOLUBLE IN SOLVENTS CANON KK (JP) 2001-10-24 EP disclosed
US-20010008907-A1 FLUORINE-CONTAINING EPOXY RESIN COMPOSITION READILY SOLUBLE IN SOLVENT CANON KABUSHIKI KAISHA (JP) 2001-07-19 US disclosed
EP-0779337-A1 FLUORINE-CONTAINING EPOXY RESIN COMPOSITION HIGHLY SOLUBLE IN SOLVENTS CANON KABUSHIKI KAISHA (JP) 1997-06-18 EP disclosed