SCHEMBL9856429

SCHEMBL9856429

CCC(C)Oc1ccc(OCCNC(O)=S)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
XBP1 P17861 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ACACB O00763 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RECQL P46063 1/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9856319 0.87 XBP1 (0.43) ALDH1A1USP2ALOX15TSHRMAPK1
SCHEMBL9856297 0.85 ALDH1A1 (0.50) ALDH1A1USP2ALOX15TSHRMAPK1
SCHEMBL9856137 0.85 ALDH1A1 (0.41) ALDH1A1USP2ALOX15TSHRMAPK1
SCHEMBL10394248 0.81 MTNR1A (0.51) ALDH1A1MTNR1AMTNR1BSMN1; SMN2ACACB
SCHEMBL9856425 0.81 ALDH1A1 (0.49) ALDH1A1USP2ALOX15TSHRMAPK1
SCHEMBL9856373 0.81 MTNR1A (0.50) ALDH1A1USP2ALOX15TSHRMAPK1
SCHEMBL10395541 0.80 ALDH1A1 (0.48) ALDH1A1USP2ALOX15TSHRMAPK1
SCHEMBL9856365 0.79 L3MBTL1 (0.50) ALDH1A1USP2ALOX15TSHRMAPK1
SCHEMBL9856323 0.79 ALDH1A1 (0.47) ALDH1A1USP2ALOX15TSHRMAPK1
SCHEMBL9856462 0.79 USP2 (0.40) ALDH1A1USP2ALOX15TSHRMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US claimed
US-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US disclosed
US-4697033-A INSECTICIDES SANDOZ LTD. (CH) 1987-09-29 US disclosed