SCHEMBL8979944

SCHEMBL8979944

CCCCON(CC)CCC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LTA4H P09960 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL4810103 0.91 DNM1 (0.37) TSHRALDH1A1CA1CA2
SCHEMBL8979941 0.86 DNM1 (0.42) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL28126402 0.81 DNM1 (0.42) TSHRALDH1A1CA1CA2
SCHEMBL5552916 0.80 DNM1 (0.40) TSHRALDH1A1CA1CA2
SCHEMBL8574590 0.79 THRB (0.37) TSHRALDH1A1CA1CA2
SCHEMBL28033734 0.79 ADRB2 (0.39) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL7478175 0.78 ADRB2 (0.35) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL3045373 0.77 THRB (0.42) TSHRALDH1A1CA1CA2
SCHEMBL6678479 0.76 DNM1 (0.42) TSHRALDH1A1CA1CA2
SCHEMBL2352064 0.76 DNM1 (0.42) TSHRALDH1A1CA1CA2

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