SCHEMBL8470544

SCHEMBL8470544

CCc1cccc(C)c1NC(=O)C(Cl)CC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.51
ALDH1A1 P00352 5/20 0.50
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HSD17B10 Q99714 2/20 0.50
POLB P06746 2/20 0.50
ALOX12 P18054 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PTGS2 P35354 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HSP90AA1 P07900 1/20 0.48
ATM Q13315 1/20 0.48
S1PR4 O95977 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
SCHEMBL10993026 0.91 ATM (0.56) NLRP3ALDH1A1POLBMEN1KMT2A
SCHEMBL11154411 0.88 NLRP3 (0.49) NLRP3ALDH1A1HTTSMN1; SMN2HSD17B10
SCHEMBL10950278 0.88 NLRP3 (0.54) NLRP3ALDH1A1HTTSMN1; SMN2HSD17B10
SCHEMBL27402352 0.86 ATM (0.52) NLRP3ALDH1A1HTTSMN1; SMN2HSD17B10
SCHEMBL3474559 0.85 NLRP3 (0.52) NLRP3ALDH1A1HTTSMN1; SMN2HSD17B10
SCHEMBL12812272 0.80 POLB (0.65) NLRP3ALDH1A1HTTSMN1; SMN2HSD17B10
SCHEMBL11414696 0.80 NLRP3 (0.52) NLRP3ALDH1A1HTTSMN1; SMN2HSD17B10
SCHEMBL11423763 0.80 NLRP3 (0.52) NLRP3ALDH1A1HTTSMN1; SMN2HSD17B10
SCHEMBL9614032 0.80 ANPEP (0.47) NLRP3ALDH1A1HTTMEN1KMT2A
SCHEMBL6544554 0.80 ANPEP (0.47) NLRP3ALDH1A1HTTMEN1KMT2A

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-5952264-A APPLYING ONE OF THE FUNGUS COCHLIOBOLUS INTERMEDIUS AND CURVULARIA INTERMEDIA TO PEST GRASS IN AGRICULTURAL CROP LOUISIANA TECH UNIVERSITY FOUNDATION, INC. 1999-09-14 US disclosed