SCHEMBL8320206

SCHEMBL8320206

[O]CC(COCCO)OCCO

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR3 Q9UBY5 2/20 0.33
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL1357542 0.85 TSHR (0.47) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL7771266 0.84 LPAR6 (0.31) LPAR1LPAR3
SCHEMBL19543524 0.83 MEN1 (0.50) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL5502602 0.83 TSHR (0.45) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL14644928 0.83 TSHR (0.45) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL7776038 0.83 TSHR (0.36) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL18251590 0.81 MEN1 (0.55) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL6433059 0.81 TSHR (0.43) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL18251591 0.81 MEN1 (0.55) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL3673665 0.79

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
US-5880130-A TREATMENT OF CELL-PROLIFERATION DISEASES ZENECA LIMITED (GB) 1999-03-09 US disclosed
EP-0733045-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1995015952-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1995-06-15 WO disclosed