SCHEMBL14618009

SCHEMBL14618009

CC/C=C\CCN(C)CCC

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CYP19A1 P11511 1/20 0.31
RXRA P19793 1/20 0.31
PPARG P37231 1/20 0.31
OXER1 Q8TDS5 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL27413945 1.00 FFAR1 (0.31) FFAR1ALDH1A1MAPTCYP19A1RXRA
SCHEMBL29339536 0.87 SIGMAR1 (0.31) SIGMAR1
SCHEMBL29338902 0.87 SIGMAR1 (0.31) SIGMAR1
SCHEMBL317978 0.86 TRPA1 (0.33) ALDH1A1
SCHEMBL17383169 0.82 ALDH1A1 (0.32) FFAR1ALDH1A1MAPTCYP19A1RXRA
SCHEMBL15835829 0.80 KDM5A (0.32) SIGMAR1
SCHEMBL18900691 0.79 FAAH (0.50) MAPTCYP19A1PPARG
SCHEMBL19288792 0.78
SCHEMBL23433550 0.78 ALDH1A1 (0.47) FFAR1ALDH1A1MAPTCYP19A1RXRA
SCHEMBL14045112 0.76

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
WO-2014100764-A2 METHODS OF INHIBITING PRMT5 Epizyme, Inc. (US) 2014-06-26 WO disclosed
US-7173004-B2 Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed