SCHEMBL22019386

SCHEMBL22019386

CCn1c(SCC(=O)Nc2ccc(C3CC3)cc2)nnc1C1CC=CO1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
POLB P06746 3/20 0.50
MAPT P10636 3/20 0.49
RECQL P46063 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2C9 P11712 2/20 0.48
CYP1A2 P05177 1/20 0.48
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL22018774 0.87 ALDH1A1 (0.55) ALDH1A1POLBMAPTTP53TSHR
SCHEMBL22018563 0.82 ALDH1A1 (0.50) ALDH1A1POLBMAPTL3MBTL1NPC1
SCHEMBL22019619 0.79 ALDH1A1 (0.62) ALDH1A1POLBMAPTRECQLL3MBTL1
SCHEMBL22018552 0.79 RORC (0.69) ALDH1A1MAPTNPC1TP53SMN1; SMN2
SCHEMBL15986325 0.78 ALDH1A1 (0.82) ALDH1A1POLBMAPTRECQLL3MBTL1
SCHEMBL18559297 0.78 ALDH1A1 (0.82) ALDH1A1POLBMAPTRECQLL3MBTL1
SCHEMBL15986284 0.78 ALDH1A1 (1.00) ALDH1A1POLBMAPTRECQLL3MBTL1
SCHEMBL22018519 0.78 ALDH1A1 (0.62) ALDH1A1POLBMAPTRECQLL3MBTL1
SCHEMBL13832034 0.77 KMT2A (0.69) ALDH1A1L3MBTL1TP53SMN1; SMN2KDM4E
SCHEMBL15983366 0.77 LMNA (0.59) ALDH1A1POLBMAPTSMN1; SMN2TSHR

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