SCHEMBL6160036

SCHEMBL6160036

CCCCCCCC/C=C\CCCCCCCCOC(=O)N=C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.51
EPHX2 P34913 2/20 0.47
TERT O14746 3/20 0.45
CYP1A2 P05177 2/20 0.45
MAPT P10636 2/20 0.45
CYP2C19 P33261 2/20 0.45
BLM P54132 2/20 0.45
HSD17B10 Q99714 2/20 0.45
FABP4 P15090 2/20 0.45
PTPN1 P18031 2/20 0.45
PPARG P37231 2/20 0.45
KMT2A Q03164 2/20 0.45
PPARD Q03181 2/20 0.45
PPARA Q07869 2/20 0.45
GMNN O75496 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL10451499 0.90 NAAA (0.52) FAAHLMNANPSR1
SCHEMBL6161876 0.90 NAAA (0.52) FAAHLMNANPSR1
SCHEMBL6161948 0.90 NAAA (0.52) FAAHLMNANPSR1
SCHEMBL5821261 0.88 NAAA (0.48) FAAHLMNANPSR1ATMTP53
SCHEMBL8544588 0.83 ALDH1A1 (0.50) CYP1A2CYP2C19LMNAATM
SCHEMBL1416577 0.78 FAAH (0.61) FAAHEPHX2CYP1A2MAPTCYP2C19
SCHEMBL1416542 0.78 FAAH (0.61) FAAHEPHX2CYP1A2MAPTCYP2C19
SCHEMBL4177621 0.78 FAAH (0.61) FAAHEPHX2CYP1A2MAPTCYP2C19
SCHEMBL4177624 0.78 FAAH (0.61) FAAHEPHX2CYP1A2MAPTCYP2C19
SCHEMBL1416621 0.78 FAAH (0.61) FAAHEPHX2CYP1A2MAPTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0893442-B1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO (JP) 2005-01-12 EP disclosed
US-6054591-A LYMPHOTROPIC ANTI-AIDS AGENT SHIONOGI & CO., LTD. (JP) 2000-04-25 US disclosed