SCHEMBL9715655

SCHEMBL9715655

CCCCCCc1ccc(CCc2ccc(-c3ccc(C#N)cc3)cc2)cc1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.97
TSHR P16473 1/20 0.97
RARB P10826 5/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
RARA P10276 1/20 0.53
MTOR P42345 1/20 0.53
CYP19A1 P11511 3/20 0.51
ESR1 P03372 2/20 0.50
ADRA2A P08913 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
TACR2 P21452 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP2A6 P11509 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL9715240 1.00 HSD17B10 (0.97) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL1325933 0.98 HSD17B10 (1.00) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL1894341 0.98 HSD17B10 (1.00) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL1896035 0.98 HSD17B10 (1.00) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL25190474 0.98 HSD17B10 (1.00) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL25181545 0.98 HSD17B10 (1.00) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL20700 0.98 HSD17B10 (1.00) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL25187484 0.98 HSD17B10 (1.00) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL1890052 0.98 HSD17B10 (1.00) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL8380924 0.98 HSD17B10 (0.93) 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-0345357-B1 LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1992-12-23 EP disclosed
US-5085799-A Mixtures of cyanobiphenyls CHISSO CORPORATION (JP) 1992-02-04 US disclosed
EP-0345357-A1 LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1989-12-13 EP disclosed