SCHEMBL8979048

SCHEMBL8979048

CCCc1ccc(C#Cc2cc(F)c(C#Cc3ccc(C#N)cc3)c(F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2A6 P11509 1/20 0.43
FFAR1 O14842 6/20 0.39
ACACB O00763 3/20 0.38
CYP19A1 P11511 1/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL8978955 0.92 ACACB (0.42) FFAR1ACACBFFAR4
SCHEMBL8978794 0.92 HSD17B10 (0.52) TSHRHSD17B10CYP2A6FFAR1CYP19A1
SCHEMBL9293685 0.91 TRPV4 (0.42) TSHRHSD17B10CYP2A6FFAR1ACACB
SCHEMBL8979050 0.90 HSD17B10 (0.58) TSHRHSD17B10CYP2A6FFAR1CYP19A1
SCHEMBL8979032 0.89 HSD17B10 (0.61) TSHRHSD17B10CYP2A6FFAR1CYP19A1
SCHEMBL8978940 0.89 HSD17B10 (0.61) TSHRHSD17B10CYP2A6FFAR1CYP19A1
SCHEMBL8979113 0.89 HSD17B10 (0.61) TSHRHSD17B10CYP2A6FFAR1CYP19A1
SCHEMBL8978812 0.89 HSD17B10 (0.61) TSHRHSD17B10CYP2A6FFAR1CYP19A1
SCHEMBL8978828 0.89 HSD17B10 (0.61) TSHRHSD17B10CYP2A6FFAR1CYP19A1
SCHEMBL8978971 0.88 ACACB (0.40) CYP2A6FFAR1ACACBFFAR4

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-0581272-B1 Tolane derivatives, liquid crystal compositions containing the derivatives and liquid crystal display device using the compositions SEIKO EPSON CORP (JP) 1996-05-08 EP disclosed
US-5356558-A Compatibility, high speed response SEIKO EPSON CORPORATION (JP) 1994-10-18 US disclosed
EP-0581272-A1 Tolane derivatives, liquid crystal compositions containing the derivatives and liquid crystal display device using the compositions SEIKO EPSON CORPORATION (JP) 1994-02-02 EP disclosed