SCHEMBL8978802

SCHEMBL8978802

CCCCCc1ccc(C#Cc2ccc(Br)cc2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.53
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
HTR2A P28223 1/20 0.41
RARB P10826 3/20 0.39
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
ESR1 P03372 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SHBG P04278 1/20 0.37

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
SCHEMBL8978813 0.90 ACACB (0.56) ACACBFFAR1FFAR4HTR2ACHRM2
SCHEMBL8978935 0.89 HSD17B10 (0.45) ACACBHSD17B10TSHRFFAR1FFAR4
SCHEMBL7858601 0.89 FFAR1 (0.51) ACACBHSD17B10TSHRFFAR1FFAR4
SCHEMBL7858590 0.87 FFAR1 (0.50) HSD17B10TSHRFFAR1FFAR4HTR2A
SCHEMBL8979094 0.87 HSD17B10 (0.48) ACACBHSD17B10TSHRFFAR1FFAR4
SCHEMBL8979123 0.87 HSD17B10 (0.48) ACACBHSD17B10TSHRFFAR1FFAR4
SCHEMBL8978772 0.87 HSD17B10 (0.48) ACACBHSD17B10TSHRFFAR1FFAR4
SCHEMBL8978895 0.87 HSD17B10 (0.48) ACACBHSD17B10TSHRFFAR1FFAR4
SCHEMBL8979169 0.87 HSD17B10 (0.48) ACACBHSD17B10TSHRFFAR1FFAR4
SCHEMBL8978968 0.87 HSD17B10 (0.48) ACACBHSD17B10TSHRFFAR1FFAR4

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