SCHEMBL9268024

SCHEMBL9268024

CCC(C)Sc1ccc(OCCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.49
ALDH1A1 P00352 2/20 0.44
RECQL P46063 1/20 0.44
PPARG P37231 10/20 0.42
PPARA Q07869 10/20 0.42
ALOX5 P09917 8/20 0.42
PTGES O14684 5/20 0.42
CYP3A4 P08684 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.39
CYP19A1 P11511 1/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 1/20 0.37
SLCO1B3 Q9NPD5 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37

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
SCHEMBL10789684 0.86 LTA4H (0.44) ALDH1A1PPARGPPARAALOX5PTGES
SCHEMBL9856269 0.83 TAAR1 (0.44) PPARGPPARAALOX5PTGESCYP3A4
SCHEMBL9268482 0.83 PPARG (0.42) PPARGPPARAALOX5PTGES
SCHEMBL9856294 0.83 PPARG (0.39) ALDH1A1PPARGPPARAALOX5PTGES
SCHEMBL9274915 0.80 LMNA (0.53) ALDH1A1RECQLPPARGPPARAALOX5
SCHEMBL10860502 0.80 AR (0.47) ALDH1A1SMN1; SMN2MEN1LMNAMAPK1
SCHEMBL10795293 0.79 PPARG (0.42) ALDH1A1RECQLPPARGPPARAALOX5
SCHEMBL9262825 0.78 NPC1 (0.40) ALDH1A1PPARGPPARAALOX5PTGES
SCHEMBL9856462 0.78 USP2 (0.40) ALDH1A1RECQLPPARGPPARAALOX5
SCHEMBL23295252 0.78 NQO1 (0.34) ALDH1A1RECQLPPARGPPARAALOX5

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-5389651-A Nitrogen-containing heterocyclyl-oxy and -thio compounds useful as pesticides SANDOZ LTD. (CH) 1995-02-14 US disclosed
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