SCHEMBL2885291

SCHEMBL2885291

CCCCN(CC)NCC

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA9 Q16790 3/20 0.33
TSHR P16473 3/20 0.33
CA2 P00918 1/20 0.33
DNM1 Q05193 3/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31
THRB P10828 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
SCHEMBL1492439 0.90 DNM1 (0.46) CA12CA1CA9TSHRCA2
SCHEMBL464950 0.88 TSHR (0.36) CA12CA1CA9TSHRCA2
SCHEMBL1243580 0.86
SCHEMBL2886721 0.83 TSHR (0.33) CA12CA1CA9TSHRDNM1
SCHEMBL28098476 0.82 DNM1 (0.36) TSHRDNM1ALDH1A1
SCHEMBL1792330 0.82
SCHEMBL81587 0.82
SCHEMBL2886653 0.81 TSHR (0.38) CA12CA1CA9TSHRCA2
SCHEMBL2886382 0.81 TSHR (0.33) CA12CA1CA9TSHRCA2
SCHEMBL9421760 0.80 DNM1 (0.46) CA12CA1CA9TSHRCA2

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
CN-109401810-A Metal working fluid without amine VOC free 凯密特尔有限责任公司 2019-03-01 CN disclosed
US-7670753-B2 Lithographic printing plate precursor EASTMAN KODAK COMPANY (US) 2010-03-02 US disclosed
US-20080261146-A1 Lithographic Printing Plate Precursor EASTMAN KODAK COMPANY 2008-10-23 US disclosed
EP-1782127-B1 LITHOGRAPHIC PRINTING PLATE PRECURSOR EASTMAN KODAK CO (US) 2008-04-02 EP disclosed
EP-1782127-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR EASTMAN KODAK COMPANY (US) 2007-05-09 EP disclosed
WO-2006023667-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR EASTMAN KODAK COMPANY (US) 2006-03-02 WO disclosed