SCHEMBL30452668

SCHEMBL30452668

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3\C[C@@H](O)C[C@H](O)[C@@H]3C)CCC[C@]12C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 14/20 0.79
MAPT P10636 3/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
NR1I2 O75469 1/20 0.72
ABCB11 O95342 1/20 0.72
GC P02774 1/20 0.72
PGR P06401 1/20 0.72
ADORA3 P0DMS8 1/20 0.72
RXRA P19793 1/20 0.72
CHRM3 P20309 1/20 0.72
CNR1 P21554 1/20 0.72
SLC6A2 P23975 1/20 0.72
HTR2C P28335 1/20 0.72
MAPK1 P28482 1/20 0.72
AGTR1 P30556 1/20 0.72
SLC6A4 P31645 1/20 0.72
ADRA1A P35348 1/20 0.72
PTGS2 P35354 1/20 0.72
OPRD1 P41143 1/20 0.72
OPRK1 P41145 1/20 0.72

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
SCHEMBL23359093 0.90 VDR (0.75) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL7570689 0.89 VDR (0.63) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL7570677 0.89 VDR (0.63) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL25754141 0.89 VDR (0.76) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL12047912 0.89 VDR (1.00) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL3056435 0.89 VDR (1.00) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL13996344 0.89 VDR (1.00) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL14489107 0.89 VDR (1.00) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL19988205 0.89 VDR (1.00) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL20461085 0.87 VDR (0.73) VDRMAPTSMN1; SMN2NR1I2ABCB11

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118440936-B Complex and scaffold material for enriching stem cells based on DNA tetrahedron 四川大学 2025-03-18 CN disclosed
CN-118440936-A Complex and scaffold material for enriching stem cells based on DNA tetrahedron 四川大学 2024-08-06 CN disclosed
WO-2024158044-A1 PROTEIN WITH CX1X2C MOTIF AND USES THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-08-02 WO disclosed
CN-116271052-A Use of oncolytic virus VG161 or in combination with immune checkpoint inhibitors for the treatment of gastric cancer 上海市普陀区中心医院 2023-06-23 CN disclosed