SCHEMBL19636626

SCHEMBL19636626

CCC/C=C/CCCCN(CCC)CCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.48
TRPV1 Q8NER1 1/20 0.48
EPHX2 P34913 3/20 0.44
TERT O14746 3/20 0.42
CYP1A2 P05177 2/20 0.42
MAPT P10636 2/20 0.42
CYP2C19 P33261 2/20 0.42
BLM P54132 2/20 0.42
HSD17B10 Q99714 2/20 0.42
FABP4 P15090 2/20 0.42
PTPN1 P18031 2/20 0.42
PPARG P37231 2/20 0.42
KMT2A Q03164 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL5855258 0.96 FAAH (0.41) FAAHTRPV1EPHX2TERTCYP1A2
SCHEMBL5855253 0.96 FAAH (0.41) FAAHTRPV1EPHX2TERTCYP1A2
SCHEMBL5855437 0.96 FAAH (0.41) FAAHTRPV1EPHX2TERTCYP1A2
SCHEMBL5855441 0.96 FAAH (0.41) FAAHTRPV1EPHX2TERTCYP1A2
SCHEMBL24728691 0.96 FAAH (0.52) FAAHTRPV1EPHX2TERTCYP1A2
SCHEMBL9212146 0.96 FAAH (0.52) FAAHTRPV1EPHX2TERTCYP1A2
SCHEMBL7230892 0.96 FAAH (0.52) FAAHTRPV1EPHX2TERTCYP1A2
SCHEMBL7230879 0.96 FAAH (0.52) FAAHTRPV1EPHX2TERTCYP1A2
SCHEMBL24113605 0.92 FAAH (0.48) FAAHTRPV1EPHX2TERTCYP1A2
SCHEMBL5856874 0.91 FAAH (0.46) FAAHTRPV1EPHX2TERTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017201347-A1 POLYNUCLEOTIDES ENCODING CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR FOR THE TREATMENT OF CYSTIC FIBROSIS MODERNATX, INC. (US) 2017-11-23 WO disclosed