SCHEMBL22018594

SCHEMBL22018594

CCn1c(SCC(=O)Nc2ccccc2)nnc1C1C=C(C(C)=O)C=CC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
TSHR P16473 4/20 0.53
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP3A4 P08684 1/20 0.48
RORC P51449 1/20 0.48
USP2 O75604 1/20 0.48
RAB9A P51151 1/20 0.47
SLC27A1 Q6PCB7 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL22018592 0.91 ALDH1A1 (0.54) ALDH1A1TSHRALOX15MAPK1CYP3A4
SCHEMBL22018589 0.90 ALDH1A1 (0.53) ALDH1A1TSHRALOX15MAPK1CYP3A4
SCHEMBL22019413 0.80 TSHR (0.53) ALDH1A1TSHRALOX15MAPK1USP2
SCHEMBL22018801 0.80 TSHR (0.53) ALDH1A1TSHRALOX15MAPK1USP2
SCHEMBL22018510 0.79 TSHR (0.54) ALDH1A1TSHRALOX15MAPK1USP2
SCHEMBL4215408 0.79 ALDH1A1 (0.72) ALDH1A1TSHRALOX15MAPK1
SCHEMBL22019376 0.79 SLC27A1 (0.54) ALDH1A1TSHRALOX15MAPK1USP2
SCHEMBL22019368 0.77 TSHR (0.54) ALDH1A1TSHRMAPK1USP2RAB9A
SCHEMBL22019367 0.76 SLC27A1 (0.54) ALDH1A1TSHRALOX15MAPK1USP2
SCHEMBL22018590 0.75 ALDH1A1 (0.61) ALDH1A1TSHRALOX15MAPK1USP2

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