SCHEMBL8979963

SCHEMBL8979963

CCCCOC(C)NCCC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
SIGMAR1 Q99720 1/20 0.31
SLC2A1 P11166 1/20 0.30
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH7 P40394 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8979971 0.84 DNM1 (0.41) DNM1SLC2A1ADH1BADH1CADH1A
SCHEMBL23878230 0.80 EPHX1 (0.32) DNM1ADRB2ADRB1ADRB3
SCHEMBL9770134 0.78 ADRB2 (0.38) DNM1ADRB2ADRB1ADRB3CYP3A4
SCHEMBL10899960 0.78
SCHEMBL9427113 0.78 MEN1 (0.42) DNM1TSHR
SCHEMBL16606098 0.77 DNM1 (0.42) DNM1SLC2A1
SCHEMBL11895675 0.76 DNM1 (0.32) DNM1ADRB2ADRB1ADRB3
SCHEMBL25502035 0.75 LMNA (0.45) DNM1TSHR
SCHEMBL21497920 0.74
SCHEMBL19696277 0.74 LMNA (0.38) SLC2A1ADH1BADH1CADH1AADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0576445-B1 A COMPOSITION FOR USE IN WASHING AND CLEANSING VULCANIZATION MOLDS SAN MARTINO SPA (IT) 1996-05-15 EP claimed
WO-1992016346-A1 A COMPOSITION FOR USE IN WASHING AND CLEANSING VULCANIZATION MOLDS SILVANI ANTINCENDI S.P.A (IT) 1992-10-01 WO claimed
EP-0576445-B1 A COMPOSITION FOR USE IN WASHING AND CLEANSING VULCANIZATION MOLDS SAN MARTINO SPA (IT) 1996-05-15 EP disclosed
US-5468422-A Composition for use in washing and cleansing vulcanization molds SILVANI ANTINCEDI (IT) 1995-11-21 US disclosed
WO-1992016346-A1 A COMPOSITION FOR USE IN WASHING AND CLEANSING VULCANIZATION MOLDS SILVANI ANTINCENDI S.P.A (IT) 1992-10-01 WO disclosed