SCHEMBL3939261

SCHEMBL3939261

Cc1nc(CCCC(=O)O)cc(C(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
PPARA Q07869 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PPARG P37231 2/20 0.36
POLB P06746 1/20 0.36
S1PR4 O95977 1/20 0.36
TP53 P04637 1/20 0.36
S1PR1 P21453 1/20 0.36
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36

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
SCHEMBL3929837 0.78 MAPK1 (0.40) HPGDNPSR1LMNAKMT2ARXRA
SCHEMBL12450048 0.69 TRPV1 (0.40) HPGDNPSR1LMNAKMT2AALDH1A1
Hydrochloric Acid SCHEMBL7049243 0.68 NOS2 (0.61)
SCHEMBL3925099 0.67 SYK (0.45) HTTMAPK1SMN1; SMN2PPARAPPARG
SCHEMBL3928210 0.66 AGBL2 (0.68) HPGDNPSR1KMT2ARXRARXRB
SCHEMBL3927733 0.66 HSD17B10 (0.42) KMT2ARXRARXRBALDH1A1HTT
SCHEMBL27641259 0.65 MAPK1 (0.55) KMT2AMAPK1SMN1; SMN2L3MBTL1
SCHEMBL3924308 0.65 TKT (0.37) NPSR1KMT2ARXRAALDH1A1MAPK1
SCHEMBL7205380 0.65 SMN1; SMN2 (0.47) LMNAKMT2ARXRARXRBALDH1A1
SCHEMBL13851664 0.65 MAPT (0.51) NPSR1LMNAALDH1A1HTTSMN1; SMN2

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