SCHEMBL9856588

SCHEMBL9856588

CCC(C)Sc1ccc(OC(C)CO)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
MAPT P10636 1/20 0.33
ABL1 P00519 2/20 0.33
TSHR P16473 1/20 0.33
ACACB O00763 2/20 0.32
HTT P42858 1/20 0.32
GPR88 Q9GZN0 1/20 0.32
ALOX5 P09917 2/20 0.31
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
LTA4H P09960 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL9856280 0.83 SLC6A4 (0.33) MTNR1AMTNR1BMAPTCYP1A2GAA
SCHEMBL10795235 0.83 HTT (0.33) MAPTTSHRHTTALOX5PPARG
SCHEMBL9265587 0.80 ACACB (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10629728 0.80 MTNR1A (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10394859 0.79 MTNR1A (0.44) MTNR1AMTNR1BTSHRHTTALDH1A1
SCHEMBL10394858 0.77 MTNR1A (0.48) MTNR1AMTNR1BTSHR
SCHEMBL9856170 0.77 CA12 (0.44) MAPTHTTCYP1A2GAAMEN1
SCHEMBL9268024 0.77 NR1I2 (0.49) ALOX5PPARGPPARAGAAMEN1
SCHEMBL10860502 0.76 AR (0.47) MAPTTSHRCYP1A2CYP2D6POLB
SCHEMBL10791820 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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