SCHEMBL28049429

SCHEMBL28049429

[CH2]C(C)(CCC)C(C)CCCC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DNM1 Q05193 2/20 0.32
MAPK1 P28482 1/20 0.31
OPRM1 P35372 1/20 0.31
CA1 P00915 2/20 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
SCHEMBL1971978 0.78 DNM1 (0.36) CA2TSHRSMN1; SMN2DNM1MAPK1
SCHEMBL10496903 0.78
SCHEMBL21989957 0.76 DNM1 (0.35) CA2TSHRSMN1; SMN2DNM1MAPK1
SCHEMBL11432874 0.74 CA2 (0.37) CA2TSHRSMN1; SMN2DNM1MAPK1
SCHEMBL597711 0.72 DNM1 (0.39) CA2TSHRSMN1; SMN2DNM1MAPK1
SCHEMBL12477395 0.72
Bromide SCHEMBL8723511 0.71 DNM1 (0.35) CA2TSHRSMN1; SMN2DNM1MAPK1
SCHEMBL1970771 0.71 OPRM1 (0.44) CA2TSHRDNM1OPRM1CA1
Bromide SCHEMBL923657 0.71 OPRM1 (0.39) CA2TSHRSMN1; SMN2DNM1MAPK1
Bromide SCHEMBL27549388 0.71 OPRM1 (0.39) CA2TSHRSMN1; SMN2DNM1MAPK1

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