SCHEMBL28015487

SCHEMBL28015487

C[CH]C(CCCC)CCCC.[LiH]

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
DNM1 Q05193 2/20 0.39
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 1/20 0.33
LMNA P02545 1/20 0.33
FDPS P14324 1/20 0.33
CA2 P00918 3/20 0.32
MAPK1 P28482 1/20 0.32
OPRM1 P35372 1/20 0.32
THRB P10828 1/20 0.32
CA1 P00915 1/20 0.31

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
SCHEMBL3338095 0.92 TSHR (0.48) TSHRSMN1; SMN2DNM1ALDH1A1TDP1
SCHEMBL103963 0.86
SCHEMBL28184120 0.86 TSHR (0.44) TSHRSMN1; SMN2DNM1LMNAFDPS
SCHEMBL9812301 0.86 TSHR (0.44) TSHRSMN1; SMN2DNM1LMNAFDPS
SCHEMBL9487774 0.86 TSHR (0.44) TSHRSMN1; SMN2DNM1LMNAFDPS
SCHEMBL27476599 0.81
SCHEMBL1004202 0.78 TSHR (0.52) TSHRSMN1; SMN2DNM1LMNAFDPS
SCHEMBL7007183 0.78
SCHEMBL12484960 0.76 TSHR (0.50) TSHRSMN1; SMN2DNM1LMNAFDPS
SCHEMBL11289007 0.76 TSHR (0.50) TSHRSMN1; SMN2DNM1LMNAFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104781213-A Pressure process WZR ceramic solutions GmbH 2015-07-15 CN disclosed