SCHEMBL3660412

SCHEMBL3660412

C1CCCCCCCCC1.COCC1CO1.COCC1CO1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.48
TSHR P16473 5/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 3/20 0.40
TP53 P04637 4/20 0.39
CYP3A4 P08684 2/20 0.39
PDK1 Q15118 2/20 0.38
GLA P06280 1/20 0.38
HIF1A Q16665 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.35
PKM P14618 1/20 0.34

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
Cyclohexane SCHEMBL663995 1.00 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL2554786 1.00 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
Cyclohexane SCHEMBL3203762 0.95 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL334658 0.94
SCHEMBL334659 0.94
SCHEMBL30341 0.94
SCHEMBL16809957 0.92 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
Methane SCHEMBL11336685 0.92
Propane SCHEMBL22090164 0.89
Propylene Oxide SCHEMBL2685682 0.86 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1

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
EP-2235131-A2 FLEXIBLE ENCAPSULATING FILM SYSTEMS 3M Innovative Properties Company (US) 2010-10-06 EP disclosed
WO-2009086095-A2 FLEXIBLE ENCAPSULATING FILM SYSTEMS 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-07-09 WO disclosed
EP-1976952-A1 ADHESIVE ENCAPSULATING COMPOSITION FILM AND ORGANIC ELECTROLUMINESCENCE DEVICE 3M Innovative Properties Company (US) 2008-10-08 EP disclosed
WO-2007087281-A1 ADHESIVE ENCAPSULATING COMPOSITION FILM AND ORGANIC ELECTROLUMINESCENCE DEVICE 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-08-02 WO disclosed