SCHEMBL28465733

SCHEMBL28465733

[CH2]C(CC)C(C)(C)CCCCCCC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GGPS1 O95749 6/20 0.34
FDPS P14324 9/20 0.33
CES2 O00748 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
SMPD1 P17405 1/20 0.32

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
SCHEMBL27556929 0.98 SMN1; SMN2 (0.32) TSHRTHRBALDH1A1LMNAHSD17B10
SCHEMBL29105772 0.82 DNM1 (0.37) TSHRTHRBGGPS1FDPS
SCHEMBL1405559 0.79 TSHR (0.38) TSHRTHRBALDH1A1LMNAHSD17B10
SCHEMBL1973324 0.79 TSHR (0.38) TSHRTHRBALDH1A1LMNAHSD17B10
SCHEMBL11861395 0.77 LMNA (0.40) TSHRTHRBALDH1A1LMNAHSD17B10
SCHEMBL593280 0.77 LMNA (0.40) TSHRTHRBALDH1A1LMNAHSD17B10
SCHEMBL28194942 0.77 LMNA (0.40) TSHRTHRBALDH1A1LMNAHSD17B10
SCHEMBL1227633 0.76 DNM1 (0.35) TSHRALDH1A1FDPS
SCHEMBL1971096 0.76 TSHR (0.33) TSHRTHRBALDH1A1LMNAHSD17B10
SCHEMBL28674433 0.74 TSHR (0.38) TSHRTHRBALDH1A1LMNAHSD17B10

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-111808172-A Pulmonary monisin B0Derivatives, preparation method and application thereof 上海森辉医药有限公司 2020-10-23 CN disclosed