SCHEMBL28974036

SCHEMBL28974036

COC(=O)c1ccc(SC)c(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
GAA P10253 4/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HSD17B10 Q99714 3/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 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
SCHEMBL8491916 0.86 L3MBTL1 (0.44) L3MBTL1TSHRTDP1CA12CA1
SCHEMBL7155974 0.84 PTGER4 (0.49) L3MBTL1TSHRTDP1CA12CA1
SCHEMBL22859614 0.84 SMN1; SMN2 (0.43) L3MBTL1TSHRTDP1CA12CA1
SCHEMBL8491889 0.84 TSHR (0.47) L3MBTL1TSHRTDP1CA12CA1
SCHEMBL3422644 0.84 CA12 (0.54) TSHRTDP1CA12CA1CA2
SCHEMBL2428364 0.84 TSHR (0.56) L3MBTL1TSHRTDP1GAARAB9A
SCHEMBL28974032 0.81 L3MBTL1 (0.43) L3MBTL1TSHRTDP1CA12CA1
SCHEMBL7159480 0.79 L3MBTL1 (0.40) L3MBTL1TSHRTDP1CA12CA1
SCHEMBL22067296 0.78 NR4A2 (0.49) L3MBTL1TSHRTDP1CA12CA1
SCHEMBL644941 0.77 MAPT (0.45) L3MBTL1TSHRTDP1GAARAB9A

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
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 CN disclosed