SCHEMBL7778618

SCHEMBL7778618

[O]CCOCC(=O)NCCNCCO

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL7777487 0.90 TSHR (0.32) RAB9AALDH1A1
SCHEMBL7778620 0.89 RAB9A (0.34) RAB9AALDH1A1
SCHEMBL7777489 0.86 GAA (0.35) RAB9AALDH1A1
SCHEMBL7771284 0.78 HSD17B10 (0.34) RAB9AALDH1A1
SCHEMBL7778659 0.76 CYP1A2 (0.35)
SCHEMBL7778629 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7777366 0.75 NAAA (0.38) ALDH1A1
SCHEMBL7775615 0.74 ALDH1A1 (0.34) RAB9AALDH1A1
SCHEMBL7775623 0.74 KDM4E (0.41) ALDH1A1
SCHEMBL12565684 0.74 RAB9A (0.44) RAB9AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733045-B1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2001-08-16 EP disclosed
US-5880130-A TREATMENT OF CELL-PROLIFERATION DISEASES ZENECA LIMITED (GB) 1999-03-09 US disclosed