SCHEMBL28111389

SCHEMBL28111389

C[CH]C(C)(C)CCCCCC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
GGPS1 O95749 6/20 0.38
FDPS P14324 9/20 0.37
DNM1 Q05193 2/20 0.36
HTT P42858 1/20 0.36
SMPD1 P17405 2/20 0.35
CES2 O00748 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR3 Q9UBY5 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
SCHEMBL28792359 1.00 TSHR (0.42) TSHRTHRBGGPS1FDPSDNM1
SCHEMBL11669918 1.00 TSHR (0.42) TSHRTHRBGGPS1FDPSDNM1
SCHEMBL28062516 1.00 TSHR (0.42) TSHRTHRBGGPS1FDPSDNM1
SCHEMBL9858335 0.97 TSHR (0.37) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL56177 0.89
SCHEMBL11814630 0.79 TSHR (0.42) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL56626 0.77
SCHEMBL23790491 0.77 GGPS1 (0.41) TSHRTHRBGGPS1FDPSDNM1
SCHEMBL6182237 0.77 TSHR (0.40) TSHRTHRBGGPS1FDPSDNM1
SCHEMBL2573738 0.77 TSHR (0.44) TSHRTHRBGGPS1FDPSCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103732613-B Hepatitis c virus inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2016-11-30 CN disclosed