SCHEMBL7861601

SCHEMBL7861601

CCCCCCCc1ccc(C#Cc2ccc(C#Cc3ccc(C)c(F)c3)c(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
HTR2A P28223 1/20 0.42
FFAR1 O14842 8/20 0.40
RARB P10826 4/20 0.40
FFAR4 Q5NUL3 4/20 0.40
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40
ESR1 P03372 2/20 0.39
ADRA2A P08913 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
TACR2 P21452 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SHBG P04278 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL7857626 1.00 HSD17B10 (0.43) HSD17B10TSHRHTR2AFFAR1RARB
SCHEMBL7857689 1.00 HSD17B10 (0.43) HSD17B10TSHRHTR2AFFAR1RARB
SCHEMBL7851544 1.00 HSD17B10 (0.43) HSD17B10TSHRHTR2AFFAR1RARB
SCHEMBL7859835 0.99 FFAR1 (0.40) HSD17B10TSHRHTR2AFFAR1RARB
SCHEMBL7859936 0.99 FFAR1 (0.40) HSD17B10TSHRHTR2AFFAR1RARB
SCHEMBL8017381 0.96 FFAR1 (0.44) HSD17B10TSHRHTR2AFFAR1RARB
SCHEMBL7851751 0.96 FFAR1 (0.44) HSD17B10TSHRHTR2AFFAR1RARB
SCHEMBL7859868 0.95 FFAR1 (0.45) HSD17B10TSHRHTR2AFFAR1RARB
SCHEMBL7857631 0.95 FFAR1 (0.41) HSD17B10TSHRFFAR1FFAR4CHRM2
SCHEMBL7858609 0.95 FFAR1 (0.41) HSD17B10TSHRFFAR1FFAR4CHRM2

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
US-6168728-B1 OPTICS WITH HIGH ANISOTROPIC VALUE CHISSO CORPORATION (JP) 2001-01-02 US disclosed
EP-0968988-A1 ACETYLENE DERIVATIVES, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE EACH COMPRISING THE SAME CHISSO CORPORATION (JP) 2000-01-05 EP disclosed