SCHEMBL10490476

SCHEMBL10490476

CC(C#N)COCCCN(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
SPHK1 Q9NYA1 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH3 Q9Y5N1 2/20 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
SCHEMBL11129168 0.88 CA12 (0.32) TSHR
SCHEMBL10936380 0.79 TSHR (0.40) TSHR
SCHEMBL8755573 0.78 TSHR (0.43) TSHRSPHK1SMN1; SMN2
SCHEMBL15510656 0.77 ALDH1A1 (0.39) ALDH1A1TSHRSPHK1KDM4ESMN1; SMN2
SCHEMBL10936236 0.74 USP2 (0.48) ALDH1A1SPHK1
SCHEMBL11635700 0.74 USP2 (0.48) ALDH1A1SPHK1
SCHEMBL10937893 0.74 USP2 (0.48) ALDH1A1SPHK1
Methane SCHEMBL10939597 0.74 TSHR (0.33) TSHR
SCHEMBL29651757 0.74 ALDH1A1 (0.36) ALDH1A1TSHRSPHK1KDM4ESMN1; SMN2
SCHEMBL29651760 0.74 ALDH1A1 (0.36) ALDH1A1TSHRSPHK1KDM4ESMN1; SMN2

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
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-0145654-A1 Method of lining the insides of pipes or parts of pipes CIBA-GEIGY AG (CH) 1985-06-19 EP disclosed
EP-0017623-A2 Hardenable mixtures containing dimethylamino derivatives CIBA-GEIGY AG (CH) 1980-10-15 EP disclosed