SCHEMBL9856207

SCHEMBL9856207

CCc1ccsc1Oc1ccc(OC(C)CC)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.35
MAPT P10636 1/20 0.34
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP14 P50281 1/20 0.33
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL9505724 0.75 SMN1; SMN2 (0.36) MAPTHPGDRAB9A
SCHEMBL122883 0.74 ACACB (0.45) ACACBMAPTMTNR1AMTNR1BHDAC1
SCHEMBL1806289 0.69 ACACB (0.43) ACACBMAPTMTNR1AMTNR1BHDAC1
SCHEMBL18473337 0.69 ACACB (0.47) ACACBMAPTHPGD
SCHEMBL12521736 0.68 ALDH1A3 (0.48) ACACBMAPT
SCHEMBL5684816 0.68 ALDH1A1 (0.41) ACACBMAPT
SCHEMBL7704361 0.68 MCHR1 (0.37) HDAC1HDAC2HDAC8
SCHEMBL8082306 0.67 LMNA (0.52) ACACBMAPTMTNR1AMTNR1B
SCHEMBL2088447 0.67 ACACB (0.37) ACACBMAPTMMP2MMP3MMP9
SCHEMBL8263616 0.67 ACHE (0.42) ACACBMAPTMTNR1AMTNR1B

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-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed