SCHEMBL8979968

SCHEMBL8979968

CCCCCOCCNCCCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CES2 O00748 1/20 0.39
GAA P10253 1/20 0.38
EPHX2 P34913 1/20 0.37
S1PR2 O95136 2/20 0.36
S1PR4 O95977 2/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36

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
SCHEMBL5933732 0.95 TSHR (0.52) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL22288099 0.93 TSHR (0.59) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL20017947 0.93 HTT (0.54) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL5933445 0.93 HTT (0.54) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL6550132 0.93 HTT (0.54) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL14759759 0.93 HTT (0.54) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL12179851 0.93 HTT (0.54) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL5795824 0.93 HTT (0.54) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL5932562 0.93 HTT (0.54) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL5933198 0.93 HTT (0.54) TSHRALDH1A1MEN1KMT2ATHRB

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