SCHEMBL20600342

SCHEMBL20600342

[CH2]CC[C@@H](CCC)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
EPHX1 P07099 2/20 0.32
CYP1A2 P05177 1/20 0.31
TP53 P04637 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
SCHEMBL12803213 1.00 SHBG (0.41) SHBGSMN1; SMN2ALDH1A1EPHX1CYP1A2
SCHEMBL23522672 0.89 SHBG (0.50) SHBGSMN1; SMN2ALDH1A1EPHX1CYP1A2
SCHEMBL2689574 0.88 SHBG (0.39) SHBGSMN1; SMN2ALDH1A1EPHX1CYP1A2
SCHEMBL892128 0.88 SHBG (0.39) SHBGALDH1A1EPHX1CYP1A2
SCHEMBL29016515 0.87 SHBG (0.46) SHBGSMN1; SMN2ALDH1A1EPHX1CYP1A2
SCHEMBL20600160 0.85 SHBG (0.48) SHBGSMN1; SMN2ALDH1A1EPHX1TP53
SCHEMBL16703627 0.85 SHBG (0.43) SHBGSMN1; SMN2ALDH1A1EPHX1CYP1A2
SCHEMBL5710495 0.85 SHBG (0.36) SHBGEPHX1CYP1A2
SCHEMBL3632509 0.83 SHBG (0.44) SHBGALDH1A1EPHX1
SCHEMBL1524737 0.83 SHBG (0.39) SHBGSMN1; SMN2ALDH1A1EPHX1

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
WO-2019002788-A1 UREAS FOR SEPARATING URANIUM(VI) AND PLUTONIUM(IV) WITHOUT REDUCING THE PLUTONIUM(IV) COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2019-01-03 WO disclosed