SCHEMBL28831256

SCHEMBL28831256

C=C(c1ccc(C(C)=O)cc1)[Sn](CCCC)(CCCC)CCCC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
THRA P10827 3/20 0.41
THRB P10828 3/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.39
HPGD P15428 3/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
HSD17B1 P14061 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B3 P37058 2/20 0.37
MAPK1 P28482 2/20 0.36
HTR7 P34969 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL28831109 0.89 THRA (0.37) KMT2ATHRATHRBLMNASMN1; SMN2
SCHEMBL5076575 0.81 PTGS2 (0.43) KMT2A
SCHEMBL28831197 0.81 NPC1 (0.49) KMT2AL3MBTL1HPGDMAPTRAB9A
SCHEMBL6876261 0.80 CA1 (0.53) KMT2AHPGDMAPTLMNARAB9A
SCHEMBL28831250 0.80 LMNA (0.45) THRATHRBGAAMAPTLMNA
SCHEMBL1661857 0.80 HTR7 (0.49) GAAHPGDRAB9AHTR7NPC1
SCHEMBL28831189 0.80 HDAC3 (0.42) KMT2AL3MBTL1GAAHPGDLMNA
SCHEMBL28831156 0.79 ALDH1A1 (0.40) KMT2ATHRATHRBHPGDMAPT
SCHEMBL28831274 0.77 HDAC1 (0.46) KMT2AL3MBTL1GAAHSD17B10HPGD
SCHEMBL28831180 0.77 TAS1R3 (0.40) KMT2AHSD17B10HPGDMAPTLMNA

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
CN-114853804-B Method for synthesizing high-regioselectivity alpha-alkenyl stannane by hydrogenating terminal alkyne stannum marshi 浙江大学 2024-07-05 CN disclosed
CN-114853804-A Method for synthesizing high-regioselectivity alpha-alkenyl stannane by hydrogenation of terminal alkyne martensitic tin 浙江大学 2022-08-05 CN disclosed