SCHEMBL3338095

SCHEMBL3338095

C[CH]C(CCC)CCCC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DNM1 Q05193 2/20 0.38
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.32
FDPS P14324 1/20 0.32
LMNA P02545 1/20 0.32
CA2 P00918 2/20 0.31
MAPK1 P28482 1/20 0.31
OPRM1 P35372 1/20 0.31
CA1 P00915 1/20 0.30
THRB P10828 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
SCHEMBL28015487 0.92 TSHR (0.50) TSHRSMN1; SMN2DNM1ALDH1A1TDP1
SCHEMBL7007183 0.88
SCHEMBL103963 0.83
SCHEMBL9812301 0.83 TSHR (0.44) TSHRSMN1; SMN2DNM1FDPSLMNA
SCHEMBL28184120 0.83 TSHR (0.44) TSHRSMN1; SMN2DNM1FDPSLMNA
SCHEMBL9487774 0.83 TSHR (0.44) TSHRSMN1; SMN2DNM1FDPSLMNA
SCHEMBL23924957 0.80 TSHR (0.50) TSHRSMN1; SMN2DNM1ALDH1A1TDP1
SCHEMBL4283686 0.80 TSHR (0.50) TSHRSMN1; SMN2DNM1ALDH1A1TDP1
SCHEMBL4268912 0.80 TSHR (0.50) TSHRSMN1; SMN2DNM1ALDH1A1TDP1
SCHEMBL23924958 0.80 TSHR (0.50) TSHRSMN1; SMN2DNM1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100143273-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE APROTIC HYDROCARBON-BASED VOLATILE SOLVENT L'OREAL S.A. (FR) 2010-06-10 US disclosed
EP-2083789-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE APROTIC HYDROCARBON-BASED VOLATILE SOLVENT L'Oréal (FR) 2009-08-05 EP disclosed
WO-2008061985-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE APROTIC HYDROCARBON-BASED VOLATILE SOLVENT L'OREAL (FR) 2008-05-29 WO disclosed
EP-1591466-A1 Preparation of a polyether composition BASF AKTIENGESELLSCHAFT (DE) 2005-11-02 EP disclosed