SCHEMBL28049474

SCHEMBL28049474

[CH2]C(C)(CCC)CC(C)CCC

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1970099 0.80 TSHR (0.42) TSHR
SCHEMBL9737458 0.78 TSHR (0.40) TSHR
SCHEMBL20957486 0.75 TSHR (0.42) TSHR
SCHEMBL23484629 0.74 TSHR (0.37) TSHR
SCHEMBL25747170 0.74 TSHR (0.37) TSHR
SCHEMBL17255676 0.74 ACE2 (0.40) TSHRMEN1CYP3A4ALOX15KMT2A
SCHEMBL597865 0.74 TSHR (0.46) TSHR
SCHEMBL1971850 0.73 TSHR (0.40) TSHRMEN1CYP3A4ALOX15KMT2A
SCHEMBL17644243 0.73 TSHR (0.40) TSHR
SCHEMBL7355368 0.73 MEN1 (0.35) MEN1CYP3A4ALOX15KMT2A

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