SCHEMBL28657261

SCHEMBL28657261

C1=CCC=C1.c1csc(C2CCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL498606 0.88 MAPT (0.47) MAPTPOLBGAASMN1; SMN2LMNA
SCHEMBL663162 0.86 MAPT (0.46) MAPTPOLBGAASMN1; SMN2LMNA
SCHEMBL930295 0.86 MAPT (0.46) MAPTPOLBGAASMN1; SMN2LMNA
SCHEMBL7122480 0.84 MAPT (0.44) MAPTPOLBGAASMN1; SMN2LMNA
SCHEMBL8133890 0.83
SCHEMBL28794480 0.80 MAPT (0.42) MAPTPOLBGAASMN1; SMN2LMNA
SCHEMBL497608 0.79
Hydrochloric Acid SCHEMBL11286601 0.77
SCHEMBL27927455 0.74 BRD4 (0.40) MAPTPOLBGAASMN1; SMN2LMNA
Acetic Acid SCHEMBL11173187 0.74 BRD4 (0.47) MAPTPOLBGAASMN1; SMN2TSHR

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-113637036-A Metallocene compound, catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for producing olefin polymer 日本聚乙烯株式会社 2021-11-12 CN disclosed