SCHEMBL7153241

SCHEMBL7153241

C=C1/C(=C\C=C2/CCC[C@@]3(C)C2CC[C@@H]3[C@H](C)/C=C/C(=O)C(C)(C)P(=O)(OCCC)OCCC)C[C@@H](O)C[C@@H]1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 14/20 0.63
NR1I2 O75469 2/20 0.61
PGR P06401 2/20 0.61
ADORA3 P0DMS8 2/20 0.61
SLC6A2 P23975 2/20 0.61
SLC6A4 P31645 2/20 0.61
ADRA1A P35348 2/20 0.61
PTGS2 P35354 2/20 0.61
HTR1A P08908 1/20 0.61
MAPT P10636 2/20 0.56
CYP24A1 Q07973 2/20 0.56
ABCB11 O95342 1/20 0.56
GC P02774 1/20 0.56
RXRA P19793 1/20 0.56
CHRM3 P20309 1/20 0.56
CNR1 P21554 1/20 0.56
HTR2C P28335 1/20 0.56
MAPK1 P28482 1/20 0.56
AGTR1 P30556 1/20 0.56
OPRD1 P41143 1/20 0.56

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
SCHEMBL7148794 0.96 VDR (0.67) VDRNR1I2PGRADORA3SLC6A2
SCHEMBL7150418 0.94 VDR (0.65) VDRNR1I2PGRADORA3SLC6A2
SCHEMBL7148226 0.92 VDR (0.64) VDRNR1I2PGRADORA3SLC6A2
SCHEMBL7157166 0.91 VDR (0.66) VDRNR1I2PGRADORA3SLC6A2
SCHEMBL8087989 0.91 VDR (0.65) VDRNR1I2PGRADORA3SLC6A2
SCHEMBL7154484 0.91 VDR (0.65) VDRNR1I2PGRADORA3SLC6A2
SCHEMBL7151047 0.89 VDR (0.69) VDRNR1I2PGRADORA3SLC6A2
SCHEMBL7155193 0.88 VDR (0.66) VDRNR1I2PGRADORA3SLC6A2
SCHEMBL8084433 0.88 VDR (0.65) VDRNR1I2PGRADORA3SLC6A2
SCHEMBL7156976 0.88 VDR (0.65) VDRNR1I2PGRADORA3SLC6A2

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
US-6531459-B1 Therapy of or prophylaxis against osteoporosis; generating new bone material; treating disease characterized by hyperproliferation and deficient cell differentiation SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-11 US claimed
US-6531459-B1 Therapy of or prophylaxis against osteoporosis; generating new bone material; treating disease characterized by hyperproliferation and deficient cell differentiation SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-11 US disclosed