SCHEMBL9856458

SCHEMBL9856458

CCC(C)Sc1ccc(OCCNC(=O)S)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 1/20 0.42
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
ALOX5 P09917 3/20 0.41
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
PTGES O14684 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL10394254 0.87 MTNR1A (0.38) MTNR1AMTNR1BALDH1A1NPC1USP2
SCHEMBL9856511 0.85 L3MBTL1 (0.47) MTNR1AMTNR1BALDH1A1NPC1USP2
SCHEMBL9856462 0.83 USP2 (0.40) MTNR1AMTNR1BALDH1A1NPC1USP2
SCHEMBL9856021 0.82 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1NPC1USP2
SCHEMBL9856425 0.80 ALDH1A1 (0.49) MTNR1AMTNR1BALDH1A1NPC1USP2
SCHEMBL10394255 0.80 USP2 (0.37) MTNR1AMTNR1BALDH1A1USP2ALOX15
SCHEMBL10394858 0.79 MTNR1A (0.48) MTNR1AMTNR1BTSHRSMN1; SMN2LMNA
SCHEMBL9856104 0.78 LMNA (0.40) ALDH1A1NPC1TSHRMAPK1ALOX5
SCHEMBL9856294 0.77 PPARG (0.39) ALDH1A1ALOX5PPARGPPARASMN1; SMN2
SCHEMBL9268024 0.77 NR1I2 (0.49) ALDH1A1USP2MAPK1ALOX5PPARG

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 3 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