SCHEMBL91254

SCHEMBL91254

CCCCC(C#N)C(C)C#N

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
DNM1 Q05193 2/20 0.33
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
OPRM1 P35372 1/20 0.32
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 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
SCHEMBL3675485 0.83 TSHR (0.42) TSHRDNM1CA2MAPK1OPRM1
SCHEMBL15513425 0.81 TSHR (0.46) TSHRALDH1A1TDP1
SCHEMBL27978858 0.79 OPRM1 (0.41) TSHRDNM1CA2MAPK1OPRM1
SCHEMBL22810400 0.79 TSHR (0.39) TSHRDNM1CA2MAPK1OPRM1
SCHEMBL13129918 0.79 TSHR (0.39) TSHRDNM1CA2MAPK1OPRM1
SCHEMBL20822187 0.77 OPRM1 (0.39) TSHRDNM1CA2OPRM1
SCHEMBL15073422 0.77 TSHR (0.37) TSHRDNM1CA2MAPK1
SCHEMBL10987090 0.77 TSHR (0.46) TSHRDNM1OPRM1
SCHEMBL19436251 0.74 SPHK1 (0.43) TSHRDNM1CA2MAPK1ALDH1A1
SCHEMBL14463126 0.74 TSHR (0.39) TSHRDNM1CA2MAPK1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129100-B2 Double patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-20090253084-A1 DOUBLE PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-10-08 US disclosed
WO-2009080853-A1 CIS BICYCLIC COMPLEXES OF PLATINUM (II) HAVING ANTICANCER ACTIVITY UNIVERSIDAD DE BARCELONA (ES) 2009-07-02 WO disclosed