SCHEMBL25754141

SCHEMBL25754141

CC1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 13/20 0.76
MAPT P10636 3/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
SREBF1 P36956 1/20 0.73
NR1I2 O75469 2/20 0.69
PGR P06401 2/20 0.69
ABCB11 O95342 1/20 0.69
GC P02774 1/20 0.69
ADORA3 P0DMS8 1/20 0.69
RXRA P19793 1/20 0.69
CHRM3 P20309 1/20 0.69
CNR1 P21554 1/20 0.69
SLC6A2 P23975 1/20 0.69
HTR2C P28335 1/20 0.69
MAPK1 P28482 1/20 0.69
AGTR1 P30556 1/20 0.69
SLC6A4 P31645 1/20 0.69
ADRA1A P35348 1/20 0.69
PTGS2 P35354 1/20 0.69
OPRD1 P41143 1/20 0.69

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
SCHEMBL30080829 0.89 MEN1 (0.72) VDRMAPTSMN1; SMN2NR1I2PGR
SCHEMBL13361581 0.89 VDR (0.74) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL30452668 0.89 VDR (0.79) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL13996344 0.87 VDR (1.00) VDRMAPTSMN1; SMN2NR1I2PGR
SCHEMBL12047912 0.87 VDR (1.00) VDRMAPTSMN1; SMN2NR1I2PGR
SCHEMBL3056435 0.87 VDR (1.00) VDRMAPTSMN1; SMN2NR1I2PGR
SCHEMBL14489107 0.87 VDR (1.00) VDRMAPTSMN1; SMN2NR1I2PGR
SCHEMBL19988205 0.87 VDR (1.00) VDRMAPTSMN1; SMN2NR1I2PGR
SCHEMBL19624814 0.86 VDR (0.71) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL19625109 0.86 VDR (0.71) VDRMAPTSMN1; SMN2SREBF1NR1I2

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
EP-3220961-B1 THERAPEUTIC VITAMIN D CONJUGATES EXTEND BIOSCIENCES INC (US) 2023-07-05 EP disclosed