SCHEMBL8380924

SCHEMBL8380924

CCCCCc1ccc(CCc2ccc(-c3ccc(C#N)cc3)cc2)cc1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.93
TSHR P16473 1/20 0.93
CYP2A6 P11509 1/20 0.52
RARB P10826 6/20 0.51
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
RARA P10276 1/20 0.50
MAPT P10636 1/20 0.50
MTOR P42345 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP19A1 P11511 3/20 0.49
HRH3 Q9Y5N1 3/20 0.47
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL8376946 1.00 HSD17B10 (0.93) HSD17B10TSHRCYP2A6RARBALDH1A1
SCHEMBL9715655 0.98 HSD17B10 (0.97) HSD17B10TSHRCYP2A6RARBALDH1A1
SCHEMBL9715240 0.98 HSD17B10 (0.97) HSD17B10TSHRCYP2A6RARBALDH1A1
SCHEMBL508855 0.98 HSD17B10 (0.96) HSD17B10TSHRCYP2A6RARBALDH1A1
SCHEMBL263560 0.98 HSD17B10 (0.96) HSD17B10TSHRCYP2A6RARBALDH1A1
SCHEMBL25190474 0.96 HSD17B10 (1.00) HSD17B10TSHRCYP2A6RARBALDH1A1
SCHEMBL25181545 0.96 HSD17B10 (1.00) HSD17B10TSHRCYP2A6RARBALDH1A1
SCHEMBL1890052 0.96 HSD17B10 (1.00) HSD17B10TSHRCYP2A6RARBALDH1A1
SCHEMBL1894341 0.96 HSD17B10 (1.00) HSD17B10TSHRCYP2A6RARBALDH1A1
SCHEMBL1325933 0.96 HSD17B10 (1.00) HSD17B10TSHRCYP2A6RARBALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958290-A ELECTROOPTICAL APPARATUS WITH DIELECTRIC LIQUID CRYSTALS FOR RADIATION TRANSPARENT MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-09-28 US disclosed
EP-0452460-B1 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM MERCK PATENT GMBH (DE) 1995-01-18 EP disclosed
US-5344587-A Nitriles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-06 US disclosed
EP-0452460-A1 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM. MERCK PATENT GMBH (DE) 1991-10-23 EP disclosed
WO-1991005029-A1 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-18 WO disclosed