SCHEMBL5069319

SCHEMBL5069319

CC(C)CCNC(=S)NCCC(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
CYP3A4 P08684 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
LMNA P02545 3/20 0.53
ALOX12 P18054 2/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 5/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
ANPEP P15144 3/20 0.41
RNPEP Q9H4A4 2/20 0.41
DNPEP Q9ULA0 2/20 0.41
LAP3 P28838 1/20 0.39
RAB9A P51151 3/20 0.38

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
SCHEMBL20085632 0.91 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL20085631 0.87 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL12787075 0.85 ALDH1A1 (0.56) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL1965523 0.85 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL26876604 0.84 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL11593171 0.83 EPHX1 (0.49) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL11594453 0.83 EPHX1 (0.49) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL11594802 0.83 EPHX1 (0.49) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL3614953 0.81
SCHEMBL1101335 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7385008-B2 Abrasion resistant elastomeric compositions EXXONMOBILE CHEMICAL PATENTS INC. (US) 2008-06-10 US claimed
US-20080033101-A1 Abrasion Resistant Elastomeric Compositions EXXONMOBIL CHEMICAL PATENTS INC. 2008-02-07 US claimed
US-7300981-B2 Abrasion resistant elastomeric compositions EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-11-27 US claimed
EP-1501874-A4 ABRASION RESISTANT ELASTOMERIC COMPOSITIONS EXXONMOBIL CHEM PATENTS INC (US) 2005-08-31 EP claimed
CN-1642988-A Abrasion resistant elastomeric compositions EXXONMOBIL CHEM PATENTS INC (US) 2005-07-20 CN claimed
JP-2005520022-A 2005-07-07 JP claimed
US-20050085594-A1 Abrasion resistant elastomeric compositions EXXONMOBIL CHEMICAL PATENTS INC. 2005-04-21 US claimed
EP-1501874-A1 ABRASION RESISTANT ELASTOMERIC COMPOSITIONS Exxonmobil Chemical Patents Inc. (US) 2005-02-02 EP claimed
WO-2003078475-A1 ABRASION RESISTANT ELASTOMERIC COMPOSITIONS EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2003-09-25 WO claimed
US-7385008-B2 Abrasion resistant elastomeric compositions EXXONMOBILE CHEMICAL PATENTS INC. (US) 2008-06-10 US disclosed
US-20080033101-A1 Abrasion Resistant Elastomeric Compositions EXXONMOBIL CHEMICAL PATENTS INC. 2008-02-07 US disclosed
US-7300981-B2 Abrasion resistant elastomeric compositions EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-11-27 US disclosed
EP-1501874-A4 ABRASION RESISTANT ELASTOMERIC COMPOSITIONS EXXONMOBIL CHEM PATENTS INC (US) 2005-08-31 EP disclosed
CN-1642988-A Abrasion resistant elastomeric compositions EXXONMOBIL CHEM PATENTS INC (US) 2005-07-20 CN disclosed
US-20050085594-A1 Abrasion resistant elastomeric compositions EXXONMOBIL CHEMICAL PATENTS INC. 2005-04-21 US disclosed
EP-1501874-A1 ABRASION RESISTANT ELASTOMERIC COMPOSITIONS Exxonmobil Chemical Patents Inc. (US) 2005-02-02 EP disclosed
WO-2003078475-A1 ABRASION RESISTANT ELASTOMERIC COMPOSITIONS EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2003-09-25 WO disclosed