SCHEMBL7722176

SCHEMBL7722176

CCCCCCC(Cl)(Cl)C=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
FDPS P14324 10/20 0.42
SMPD1 P17405 2/20 0.42
GGPS1 O95749 6/20 0.40
EPHX1 P07099 1/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
THRB P10828 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL7734114 1.00 TSHR (0.42) TSHRFDPSSMPD1GGPS1EPHX1
SCHEMBL7721804 1.00 TSHR (0.42) TSHRFDPSSMPD1GGPS1EPHX1
SCHEMBL14909789 0.98 FDPS (0.40) TSHRFDPSSMPD1GGPS1EPHX1
SCHEMBL7728712 0.90
SCHEMBL4682330 0.79
SCHEMBL9578191 0.77 FDPS (0.39) TSHRFDPSSMPD1GGPS1EPHX1
SCHEMBL28381123 0.74 TSHR (0.41) TSHRFDPSSMPD1GGPS1THRB
SCHEMBL7732151 0.73 TSHR (0.44) TSHRFDPSGGPS1EPHX1ADH1B
SCHEMBL5498660 0.73 TSHR (0.44) TSHRFDPSGGPS1EPHX1ADH1B
SCHEMBL1068830 0.73 TSHR (0.44) TSHRFDPSGGPS1EPHX1ADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015479-A4 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR LILLY CO ELI (US) 2002-07-24 EP disclosed
EP-0946556-A4 COMBINATORIAL PROCESS FOR PREPARING HYDROFUROQUINOLINE LIBRARIES LILLY CO ELI (US) 2001-07-04 EP disclosed
EP-1019720-A1 COMBINATORIAL PROCESS FOR PREPARING TETRAHYDROQUINOLINE LIBRARIES ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
EP-1015479-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
EP-0973936-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 2000-01-26 EP disclosed
EP-0946556-A1 COMBINATORIAL PROCESS FOR PREPARING HYDROFUROQUINOLINE LIBRARIES ELI LILLY AND COMPANY (US) 1999-10-06 EP disclosed
WO-1998046631-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998046786-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998027427-A1 COMBINATORIAL PROCESS FOR PREPARING TETRAHYDROQUINOLINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-06-25 WO disclosed
WO-1998027093-A1 COMBINATORIAL PROCESS FOR PREPARING HYDROFUROQUINOLINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-06-25 WO disclosed