SCHEMBL8979966

SCHEMBL8979966

CCCCCOC(C)NC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.43
EPHX1 P07099 2/20 0.38
ALDH1A1 P00352 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
LPAR1 Q92633 4/20 0.33
LPAR3 Q9UBY5 4/20 0.33
LPAR2 Q9HBW0 1/20 0.33
SPHK1 Q9NYA1 1/20 0.32
USP2 O75604 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL20285522 0.98 DNM1 (0.47) DNM1EPHX1LPAR1LPAR3LPAR2
Hydrochloric Acid SCHEMBL29200160 0.96 DNM1 (0.50) DNM1EPHX1LPAR1LPAR3LPAR2
SCHEMBL3705542 0.82
SCHEMBL16606098 0.79 DNM1 (0.42) DNM1EPHX1ALDH1A1CNR1CNR2
SCHEMBL8351741 0.77 EPHX1 (0.41) EPHX1
SCHEMBL8979971 0.77 DNM1 (0.41) DNM1EPHX1ALDH1A1CNR1CNR2
SCHEMBL11146313 0.77 DNM1 (0.45) DNM1EPHX1LPAR1LPAR3LPAR2
SCHEMBL9770134 0.75 ADRB2 (0.38) DNM1ALDH1A1
SCHEMBL2599823 0.74 DNM1 (0.42) DNM1EPHX1ALDH1A1CNR1CNR2
SCHEMBL10945756 0.74 DNM1 (0.47) DNM1EPHX1SPHK1HTT

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 6 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
EP-0576445-A1 A COMPOSITION FOR USE IN WASHING AND CLEANSING VULCANIZATION MOLDS. SILVANI ANTINCENDI SPA (IT) 1994-01-05 EP 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