SCHEMBL7861593

SCHEMBL7861593

CCCCCc1ccc(C#Cc2ccc(C#Cc3ccc(CC)cc3)cc2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.39
ACACB O00763 1/20 0.39
RARB P10826 3/20 0.37
RARA P10276 1/20 0.37
RARG P13631 1/20 0.37
GPR3 P46089 1/20 0.37
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
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 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
SCHEMBL7858814 0.99 FFAR1 (0.48) FFAR1FFAR4HSD17B10TSHRHTR2A
SCHEMBL7858592 0.99 FFAR1 (0.48) FFAR1FFAR4HSD17B10TSHRHTR2A
SCHEMBL7858534 0.96 FFAR1 (0.50) FFAR1FFAR4HSD17B10TSHRHTR2A
SCHEMBL7858637 0.94 FFAR1 (0.46) FFAR1FFAR4HSD17B10TSHRHTR2A
SCHEMBL7858601 0.94 FFAR1 (0.51) FFAR1FFAR4HSD17B10TSHRHTR2A
SCHEMBL7851581 0.93 HSD17B10 (0.46) FFAR1FFAR4HSD17B10TSHRHTR2A
SCHEMBL8978750 0.93 HSD17B10 (0.42) FFAR1FFAR4HSD17B10TSHRHTR2A
SCHEMBL8979115 0.93 HSD17B10 (0.42) FFAR1FFAR4HSD17B10TSHRHTR2A
SCHEMBL7858728 0.93 HSD17B10 (0.46) FFAR1FFAR4HSD17B10TSHRHTR2A
SCHEMBL7859885 0.93 FFAR1 (0.50) FFAR1FFAR4HSD17B10TSHRHTR2A

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