SCHEMBL3334444

SCHEMBL3334444

CC[CH]CC(C)CCCC

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.35
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
OPRM1 P35372 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
ALDH1A1 P00352 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.30
FDPS P14324 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
SCHEMBL3885142 0.93 OPRM1 (0.42) DNM1ADH1BADH1CADH1AADH4
SCHEMBL28100159 0.91 ADH1B (0.45) DNM1TSHRADH1BADH1CADH1A
SCHEMBL14812198 0.91 ADH1B (0.45) DNM1TSHRADH1BADH1CADH1A
SCHEMBL2967052 0.91 ADH1B (0.45) DNM1TSHRADH1BADH1CADH1A
SCHEMBL19284303 0.90 DNM1 (0.38) DNM1TSHRSMN1; SMN2ADH1BADH1C
SCHEMBL11314110 0.85 OPRM1 (0.44) DNM1TSHRSMN1; SMN2ADH1BADH1C
SCHEMBL2761440 0.85 TSHR (0.40) DNM1TSHRSMN1; SMN2ADH1BADH1C
SCHEMBL56670 0.84
SCHEMBL3337621 0.83 TSHR (0.35) DNM1TSHRSMN1; SMN2ADH1BADH1C
SCHEMBL1856668 0.81 TSHR (0.32) TSHRSMN1; SMN2ALDH1A1

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 8 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
US-20090149584-A1 USE OF HEXAHYDROPHTHALIMIDE COMBINATIONS AS SOFTENER BASF AKTIENGESELLSCHAFT (DE) 2009-06-11 US disclosed
CN-101426843-A Use of hexahydrophthalimide combinations as softener BASF SE (DE) 2009-05-06 CN disclosed
EP-2013278-A1 USE OF HEXAHYDROPHTHALIMIDE COMBINATIONS AS SOFTENER BASF SE (DE) 2009-01-14 EP disclosed
WO-2008061985-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE APROTIC HYDROCARBON-BASED VOLATILE SOLVENT L'OREAL (FR) 2008-05-29 WO disclosed
WO-2008006834-A2 USE OF IMIDAZOLE COMPOUNDS AS PLASTICISERS BASF SE (DE) 2008-01-17 WO disclosed
WO-2007122204-A1 USE OF HEXAHYDROPHTHALIMIDE COMBINATIONS AS SOFTENER BASF SE (DE) 2007-11-01 WO disclosed