SCHEMBL10140600

SCHEMBL10140600

CC(C)c1ccc(/C=C/I)cn1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 1/20 0.32
MAPK1 P28482 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CHRNA7 P36544 1/20 0.31
PANK3 Q9H999 1/20 0.30
NPC1 O15118 1/20 0.30
MTOR P42345 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL890254 0.82 LMNA (0.36) P4HTMESR1ESR2KDM4ECHRNA7
SCHEMBL889328 0.81 TUBB4A (0.33) ESR1ESR2CHRNA7
SCHEMBL19116260 0.79 GRM5 (0.49) MAPK1KDM4ECHRNA7NPC1MTOR
SCHEMBL12842147 0.79 CHRNB2 (0.34) ESR1ESR2CHRNA7
SCHEMBL9837728 0.79 P4HTM (0.58) P4HTMESR1ESR2MAPK1KDM4E
SCHEMBL5511343 0.79 P4HTM (0.58) P4HTMESR1ESR2MAPK1KDM4E
SCHEMBL13881346 0.79 GLA (0.46) P4HTMESR1MAPK1KDM4EPANK3
SCHEMBL12074871 0.76 PAM (0.50) P4HTMESR1MAPK1KDM4EPANK3
SCHEMBL2555492 0.76 TYR (0.48) KDM4ECHRNA7HSD17B10
SCHEMBL30453932 0.76 TYR (0.48) KDM4ECHRNA7HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012021704-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2011091417-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-07-28 WO disclosed
WO-2011081918-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-07-07 WO disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed