SCHEMBL9347709

SCHEMBL9347709

CCCCCC[C@H]1C[C@]1(C#N)c1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.36
ESR1 P03372 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TACR2 P21452 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SHBG P04278 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSPD1 P10809 1/20 0.36
ADRB3 P13945 1/20 0.36
HTR2C P28335 1/20 0.36
HSPE1 P61604 1/20 0.36
HIF1A Q16665 1/20 0.36
TST Q16762 1/20 0.36

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
SCHEMBL9351158 0.96 HSD17B10 (0.38) HSD17B10ESR1ADRA2AADORA3TACR2
SCHEMBL9347699 0.96 HSD17B10 (0.38) HSD17B10ESR1ADRA2AADORA3TACR2
SCHEMBL9347830 0.87 TSHR (0.34) HSD17B10TSHR
SCHEMBL9351600 0.85 GRM2 (0.37) KDM4EALDH1A1GRM2MAPTMGLL
SCHEMBL23720068 0.81 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3ALDH1A1HIF1A
SCHEMBL9347400 0.81 GRM2 (0.39) ALDH1A1HIF1AGRM2MAPT
SCHEMBL9347436 0.77 HTT (0.34) TP53MAPTMGLLSMN1; SMN2
SCHEMBL9347714 0.77 NPC1 (0.49) LMNATP53ALDH1A1CYP3A4MAPT
SCHEMBL9122543 0.75 HSD17B10 (0.35) HSD17B10ESR1ADRA2AADORA3TACR2
SCHEMBL6056611 0.73 ESR1 (0.41) HSD17B10ESR1ADRA2AADORA3TACR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0438754-B1 Optically active compound, intermediate therefor, process for producing the intermediate, and liquid-crystal composition DAINIPPON INK & CHEMICALS (JP) 1994-08-17 EP disclosed
US-5064564-A Ferroelectric liquid crystal display DAINIPPON INK AND CHEMICALS, INC. (JP) 1991-11-12 US disclosed
EP-0438754-A1 Optically active compound, intermediate therefor, process for producing the intermediate, and liquid-crystal composition DAINIPPON INK AND CHEMICALS, INC. (JP) 1991-07-31 EP disclosed