SCHEMBL3937555

SCHEMBL3937555

CCOC(=O)CCCc1nccc(C(F)(F)F)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.42
MAPK1 P28482 3/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
S1PR4 O95977 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
S1PR1 P21453 1/20 0.41
STAT3 P40763 1/20 0.41
STAT1 P42224 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TLR9 Q9NR96 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40

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
SCHEMBL17653858 0.84 SYK (0.52) SYKSMN1; SMN2MAPK1ALDH1A1L3MBTL1
SCHEMBL3925099 0.81 SYK (0.45) SYKSMN1; SMN2MAPK1POLBMBOAT4
SCHEMBL27573575 0.77 MBOAT4 (0.40) SYKLMNAMBOAT4
SCHEMBL941980 0.77 CYP4F2 (0.49) SMN1; SMN2LMNACYP1A2CYP2C9CYP2C19
SCHEMBL3928478 0.75 KCNQ3 (0.47) SYKSMN1; SMN2MAPK1ALDH1A1L3MBTL1
SCHEMBL7447762 0.75 MAPK1 (0.49) SYKSMN1; SMN2MAPK1ALDH1A1L3MBTL1
SCHEMBL21503712 0.75 KCNH2 (0.40) SMN1; SMN2LMNAMAPTMBOAT4KDM4E
SCHEMBL5803365 0.75 KCNH2 (0.40) SMN1; SMN2LMNAMAPTMBOAT4KDM4E
SCHEMBL18647595 0.74 MBOAT4 (0.42) SYKMBOAT4
SCHEMBL3936587 0.74 MAPK1 (0.48) SYKSMN1; SMN2MAPK1ALDH1A1L3MBTL1

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-2009007418-A1 NOVEL BRONCHODILATING ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2009-01-15 WO disclosed
WO-2009007418-A1 NOVEL BRONCHODILATING ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2009-01-15 WO disclosed