SCHEMBL22018552

SCHEMBL22018552

CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1C1CC=CO1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.69
CYP3A4 P08684 1/20 0.69
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 1/20 0.49
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
GLA P06280 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL22018787 0.82 RORC (0.69) RORCCYP3A4SMN1; SMN2HPGDNPC1
SCHEMBL22904641 0.82 RORC (1.00) RORCCYP3A4SMN1; SMN2HPGDNPC1
SCHEMBL4213466 0.82 RORC (0.80) RORCCYP3A4SMN1; SMN2ALDH1A1MAPK1
SCHEMBL22018774 0.79 ALDH1A1 (0.55) ALDH1A1LMNATP53MAPT
SCHEMBL22019386 0.79 ALDH1A1 (0.63) CYP3A4SMN1; SMN2HPGDNPC1ALDH1A1
SCHEMBL22018563 0.78 ALDH1A1 (0.50) HPGDNPC1ALDH1A1LMNAMAPT
SCHEMBL13832073 0.77 MEN1 (0.69) RORCCYP3A4SMN1; SMN2HPGDALDH1A1
SCHEMBL13831958 0.76 CYP3A4 (0.65) RORCCYP3A4SMN1; SMN2ALDH1A1LMNA
SCHEMBL15983381 0.75 SMN1; SMN2 (0.62) RORCCYP3A4SMN1; SMN2HPGDALDH1A1
SCHEMBL15983303 0.75 ALDH1A1 (0.66) RORCCYP3A4SMN1; SMN2HPGDNPC1

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
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed