SCHEMBL18912441

SCHEMBL18912441

CCC(CC)C(C)N(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
SPHK1 Q9NYA1 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
SCHEMBL18081221 1.00 TSHR (0.32) TSHRSPHK1
SCHEMBL28113701 0.83 LMNA (0.41) TSHRSPHK1
SCHEMBL9882898 0.83 LMNA (0.36) TSHRSPHK1
SCHEMBL22110381 0.79 SPHK1 (0.36) TSHRSPHK1
SCHEMBL18843925 0.79
SCHEMBL12921558 0.75
SCHEMBL21578654 0.75
SCHEMBL22680882 0.74
SCHEMBL13790225 0.73
SCHEMBL20444272 0.72

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
WO-2017089894-A1 CONJUGATES COMPRISING PEPTIDE GROUPS AND METHODS RELATED THERETO LEGOCHEM BIOSCIENCES, INC. (KR) 2017-06-01 WO disclosed