SCHEMBL20104569

SCHEMBL20104569

C=CC12CCC/C(=C\C=C3\CCCCC3=C)C1CCC2CCCCC(C)(C)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
SREBF1 P36956 1/20 0.46
VDR P11473 10/20 0.43
NR1I2 O75469 1/20 0.43
ABCB11 O95342 1/20 0.43
GC P02774 1/20 0.43
PGR P06401 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
RXRA P19793 1/20 0.43
CHRM3 P20309 1/20 0.43
CNR1 P21554 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
MAPK1 P28482 1/20 0.43
AGTR1 P30556 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
PTGS2 P35354 1/20 0.43
OPRD1 P41143 1/20 0.43

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
SCHEMBL22782561 0.90 VDR (0.41) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL20848288 0.86 MAPT (0.56) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL23732379 0.85 MAPT (0.47) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL22919577 0.85 MAPT (0.46) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL19502585 0.74 VDR (0.59) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL21128778 0.73 MAPT (0.80) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL12372105 0.73 MAPT (0.80) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL21264751 0.73 MAPT (0.80) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL11977559 0.73 MAPT (0.80) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL25753376 0.73 MAPT (0.80) MAPTSMN1; SMN2SREBF1VDRNR1I2

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-2209377-B1 USE OF VITAMIN D RECEPTOR AGONISTS AND PRECURSORS TO TREAT FIBROSIS SALK INST BIOLOGICAL STUDIES (US) 2018-05-02 EP disclosed