SCHEMBL4776951

SCHEMBL4776951

CCCCN1CCCC1C=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.42
S1PR3 Q99500 3/20 0.42
S1PR5 Q9H228 3/20 0.42
S1PR4 O95977 1/20 0.42
NR1I2 O75469 1/20 0.40
OPRD1 P41143 1/20 0.40
GBA2 Q9HCG7 2/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCHE P06276 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
SCHEMBL13360172 1.00 S1PR1 (0.42) S1PR1S1PR3S1PR5S1PR4NR1I2
SCHEMBL9660196 1.00 S1PR1 (0.42) S1PR1S1PR3S1PR5S1PR4NR1I2
SCHEMBL499974 0.94 S1PR1 (0.48) S1PR1S1PR3S1PR5S1PR4NR1I2
SCHEMBL27621570 0.94 S1PR1 (0.42) S1PR1S1PR3S1PR5S1PR4NR1I2
SCHEMBL9658854 0.93 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4OPRD1
SCHEMBL9660801 0.93 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4OPRD1
SCHEMBL9660995 0.93 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4OPRD1
SCHEMBL28854058 0.93 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4OPRD1
SCHEMBL9658827 0.93 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4OPRD1
SCHEMBL9660891 0.93 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110049967-A Novel compound and modified conjugated diene-based polymer containing functional group derived from the compound 株式会社LG化学 2019-07-23 CN disclosed
CN-107847508-A The medical composition and its use of eutectic based on carboplatin 新纳特产品公司 2018-03-27 CN disclosed
WO-2008002039-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING THE GROWTH OF CANCER CELL HANMI PHARM. CO., LTD. (KR) 2008-01-03 WO disclosed
CN-1900208-A Refrigerant compositions containing a compatibilizer DU PONT (US) 2007-01-24 CN disclosed
CN-1675332-A Refrigerant compositions containing performance enhancing additives DU PONT (US) 2005-09-28 CN disclosed
CN-1599782-A Refrigerant compositions containing a compatibilizer and use therof in a compression refrigeration apparatus DU PONT (US) 2005-03-23 CN disclosed
CN-1479772-A Refrigerant compositions comprising compatibilizers ��Ļ���Ű˾ 2004-03-03 CN disclosed