SCHEMBL20848288

SCHEMBL20848288

C=C1CCCC/C1=C/C=C1\CCCC2(C)C(CCCCC(C)(C)O)CCC12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
SREBF1 P36956 1/20 0.56
VDR P11473 9/20 0.53
NR1I2 O75469 1/20 0.53
ABCB11 O95342 1/20 0.53
GC P02774 1/20 0.53
PGR P06401 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
RXRA P19793 1/20 0.53
CHRM3 P20309 1/20 0.53
CNR1 P21554 1/20 0.53
SLC6A2 P23975 1/20 0.53
HTR2C P28335 1/20 0.53
MAPK1 P28482 1/20 0.53
AGTR1 P30556 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRA1A P35348 1/20 0.53
PTGS2 P35354 1/20 0.53
OPRD1 P41143 1/20 0.53

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
SCHEMBL19502585 0.87 VDR (0.59) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL23732379 0.87 MAPT (0.47) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL22919577 0.86 MAPT (0.46) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL20104569 0.86 MAPT (0.46) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL21264537 0.85 VDR (0.54) MAPTSMN1; SMN2VDRNR1I2ABCB11
SCHEMBL18723292 0.85 VDR (0.49) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL24814269 0.85 MAPT (0.56) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL18485001 0.85 MAPT (0.56) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL19788795 0.85 VDR (0.73) MAPTSMN1; SMN2VDRNR1I2ABCB11
SCHEMBL18485233 0.85 VDR (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019182109-A1 BBB-PASSING LIPID LIGAND OF HETERO NUCLEIC ACID 国立大学法人東京医科歯科大学 2019-09-26 WO disclosed
EP-2926143-B1 COMPOSITIONS AND METHODS FOR DETECTING VITAMIN D SIEMENS HEALTHCARE DIAGNOSTICS INC (US) 2019-03-27 EP disclosed