SCHEMBL28049438

SCHEMBL28049438

C[CH]C(C)(CCC)CCCCC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
FDPS P14324 11/20 0.32
GGPS1 O95749 7/20 0.32
SMPD1 P17405 2/20 0.30
CES2 O00748 1/20 0.30
LPAR1 Q92633 1/20 0.30
LPAR3 Q9UBY5 1/20 0.30

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
SCHEMBL11814630 0.92 TSHR (0.42) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL7367537 0.87 TSHR (0.33) TSHRTHRBFDPS
SCHEMBL27674724 0.83 TSHR (0.38) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL28358059 0.78 TSHR (0.37) TSHRFDPSGGPS1CES2LPAR1
SCHEMBL10304506 0.78 TSHR (0.37) TSHRFDPSGGPS1CES2LPAR1
SCHEMBL27674807 0.77 LMNA (0.30) TSHR
SCHEMBL4620362 0.76
SCHEMBL9858335 0.74 TSHR (0.37) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL28792359 0.72 TSHR (0.42) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL11669918 0.72 TSHR (0.42) TSHRTHRBFDPSGGPS1SMPD1

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-103068786-B Cosmetic preparation COGNIS IP MANAGEMENT GMBH (DE) 2016-01-20 CN disclosed