SCHEMBL19786466

SCHEMBL19786466

CC(C)CCCCC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.63
CYP3A4 P08684 6/20 0.63
MAPT P10636 5/20 0.63
HSD17B10 Q99714 4/20 0.63
TSHR P16473 4/20 0.63
SHBG P04278 4/20 0.63
SERPINA6 P08185 4/20 0.63
MAPK1 P28482 4/20 0.63
NR3C1 P04150 3/20 0.63
PGR P06401 3/20 0.63
AR P10275 3/20 0.63
GPBAR1 Q8TDU6 3/20 0.63
SIGMAR1 Q99720 3/20 0.63
CYP19A1 P11511 2/20 0.63
SNCA P37840 2/20 0.63
CACNA1C Q13936 2/20 0.63
CYP51A1 Q16850 2/20 0.63
OR51E2 Q9H255 1/20 0.63
NR1I2 O75469 2/20 0.62
CYP17A1 P05093 5/20 0.61

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
SCHEMBL22968478 0.89 LMNA (0.60) LMNACYP3A4MAPTHSD17B10TSHR
SCHEMBL18870341 0.88 NR1I2 (0.48) LMNACYP3A4MAPTHSD17B10TSHR
SCHEMBL11572462 0.86 CYP3A4 (0.70) LMNACYP3A4MAPTHSD17B10TSHR
SCHEMBL23638378 0.86 CYP17A1 (0.64) LMNACYP3A4MAPTHSD17B10TSHR
SCHEMBL29890992 0.86 CYP17A1 (0.64) LMNACYP3A4MAPTHSD17B10TSHR
SCHEMBL19626004 0.86 CYP17A1 (0.64) LMNACYP3A4MAPTHSD17B10TSHR
SCHEMBL22968559 0.84 LMNA (0.64) LMNACYP3A4MAPTHSD17B10TSHR
SCHEMBL17889172 0.84 LMNA (0.64) LMNACYP3A4MAPTHSD17B10TSHR
SCHEMBL17889171 0.84 LMNA (0.64) LMNACYP3A4MAPTHSD17B10TSHR
SCHEMBL17889178 0.84 LMNA (0.64) LMNACYP3A4MAPTHSD17B10TSHR

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
WO-2018011691-A1 COMPETITIVE IMMUNOASSAY METHODS NESTEC S.A. (CH) 2018-01-18 WO disclosed