SCHEMBL9629070

SCHEMBL9629070

CC(CN)COCCCN(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SCN4A P35499 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
LSS P48449 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
SCHEMBL15510656 0.83 ALDH1A1 (0.39) ALDH1A1TSHRSPHK1KDM4ESMN1; SMN2
SCHEMBL11242979 0.83 HTT (0.42) HTTALDH1A1SPHK1SCN4ACYP3A4
SCHEMBL11241758 0.83 HTT (0.47) HTTALDH1A1SPHK1SCN4ACYP3A4
SCHEMBL10801933 0.79 DNM1 (0.54) HTTALDH1A1TSHRSPHK1LSS
SCHEMBL29651760 0.79 ALDH1A1 (0.36) ALDH1A1TSHRSPHK1KDM4ESMN1; SMN2
SCHEMBL29651757 0.79 ALDH1A1 (0.36) ALDH1A1TSHRSPHK1KDM4ESMN1; SMN2
SCHEMBL11242156 0.78 SCN4A (0.39) HTTALDH1A1SCN4ACYP3A4
SCHEMBL13169202 0.77 ALDH1A1 (0.31) ALDH1A1TSHRSPHK1KDM4ESMN1; SMN2
SCHEMBL12212746 0.77 HTT (0.52) HTTALDH1A1TSHRSPHK1SMN1; SMN2
SCHEMBL11535497 0.77 SCN4A (0.33) HTTSCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0145654-B2 METHOD OF LINING THE INSIDES OF PIPES OR PARTS OF PIPES CIBA-GEIGY AG (CH) 1992-05-13 EP disclosed
US-4845234-A IN SITU LINING OF PIPE INTERIORS, CURING AGENTS FOR EPOXY RESINS CIBA-GEIGY CORPORATION (US) 1989-07-04 US disclosed
US-4762585-A EPOXY RESINS WITH AMINE CURING AGENTS CIBA-GEIGY CORPORATION (US) 1988-08-09 US disclosed
EP-0017623-B1 HARDENABLE MIXTURES CONTAINING DIMETHYLAMINO DERIVATIVES CIBA-GEIGY AG (CH) 1984-03-07 EP disclosed