SCHEMBL7945829

SCHEMBL7945829

COc1cc(C=O)cc(OCCCN(C)C)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.49
FYN P06241 1/20 0.45
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
BCHE P06276 2/20 0.44
ACHE P22303 1/20 0.44
TUBB1 Q9H4B7 5/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
TUBB4A P04350 3/20 0.41
TUBB P07437 3/20 0.41
TUBA3C P0DPH7 3/20 0.41
TUBA1B P68363 3/20 0.41
TUBA4A P68366 3/20 0.41

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
SCHEMBL12694584 0.82 FDPS (0.74) FDPSBCHEACHEALDH1A1LMNA
SCHEMBL7844422 0.81 TUBB1 (0.57) FDPSPDCD1CD274TUBB1ALDH1A1
SCHEMBL8772739 0.81 HTR1A (0.50) FDPSPDCD1CD274TUBB1ALDH1A1
SCHEMBL7955166 0.80 FYN (0.47) FYNACHESCN1ASCN2ASCN3A
SCHEMBL4036416 0.80 FYN (0.53) FYNACHESCN1ASCN2ASCN3A
SCHEMBL22301646 0.80 FDPS (0.51) FDPSPDCD1CD274TUBB1ALDH1A1
SCHEMBL96635 0.79 ALDH1A1 (0.59) FDPSPDCD1CD274ACHETUBB1
SCHEMBL16619850 0.79 ALDH1A1 (0.59) FDPSPDCD1CD274ACHETUBB1
SCHEMBL7568496 0.78 TUBB1 (0.51) FDPSTUBB1ALDH1A1MAPK1TUBB4A
SCHEMBL7457620 0.78 TUBB1 (0.55) FDPSPDCD1CD274TUBB1ALDH1A1

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
US-6297274-B1 SUBSTITUTED 5-HYDROXYFURANONES WARNER-LAMBERT COMPANY 2001-10-02 US disclosed
WO-1997037985-A1 NONPEPTIDE ENDOTHELIN ANTAGONISTS WITH INCREASED WATER SOLUBILITY WARNER-LAMBERT COMPANY (US) 1997-10-16 WO disclosed