SCHEMBL8046336

SCHEMBL8046336

CC#CCc1ccc(C#Cc2ccc(-c3ccc(CCCCCC)cc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.60
TSHR P16473 1/20 0.60
RARB P10826 8/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
RARA P10276 2/20 0.48
MTOR P42345 1/20 0.48
KDM4E B2RXH2 2/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ESR1 P03372 2/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
TACR2 P21452 2/20 0.45
SLC6A2 P23975 2/20 0.45

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
SCHEMBL8041050 0.98 HSD17B10 (0.58) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL8041203 0.95 HSD17B10 (0.53) HSD17B10TSHRALDH1A1MEN1MAPT
SCHEMBL8039346 0.94 HSD17B10 (0.50) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL8040927 0.90 HSD17B10 (0.59) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL9335482 0.89 HSD17B10 (0.66) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL9335275 0.89 HSD17B10 (0.66) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL9335411 0.89 HSD17B10 (0.66) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL9333038 0.87 HSD17B10 (0.63) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL8042641 0.87 TSHR (0.42) HSD17B10TSHRFFAR1FFAR4HRH3
SCHEMBL8729713 0.86 HSD17B10 (0.58) HSD17B10TSHRRARBALDH1A1MEN1

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-0727473-B1 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2000-01-12 EP disclosed
US-5833879-A LOW TEMPERATURE MISCIBILITY AND COMPATIBILITY WITH OTHER LIQUID CRYSTAL COMPOUNDS; DISPLAYS CONTAINING MIXTURES OF AT LEAST TWO COMPOUNDS, PHYSICAL PROPERTIES CHISSO CORPORATION (JP) 1998-11-10 US disclosed
EP-0727473-A2 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1996-08-21 EP disclosed