SCHEMBL9720163

SCHEMBL9720163

[CH2]C(CCCC)C([CH2])CCCC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.45
TSHR P16473 5/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
FDPS P14324 1/20 0.38
OPRM1 P35372 1/20 0.36
CA2 P00918 3/20 0.36
MAPK1 P28482 1/20 0.36
CA1 P00915 1/20 0.35

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
SCHEMBL9421435 0.87 TSHR (0.50) DNM1TSHRLMNATHRBFDPS
SCHEMBL6470306 0.87 TSHR (0.50) DNM1TSHRLMNATHRBFDPS
SCHEMBL1524601 0.84
SCHEMBL9748018 0.84
SCHEMBL9232363 0.82 DNM1 (0.38) DNM1TSHRLMNAALDH1A1TDP1
SCHEMBL28550998 0.82 ALDH1A1 (0.44) DNM1TSHRLMNAALDH1A1TDP1
SCHEMBL27864468 0.80 ALDH1A1 (0.37) DNM1TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL6681286 0.80
SCHEMBL138671 0.79 DNM1 (0.45) DNM1TSHRLMNAALDH1A1TDP1
SCHEMBL7414618 0.79

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
US-5104503-A Radiation in presence of group 2b metal YALE UNIVERSITY (US) 1992-04-14 US disclosed