SCHEMBL14970724

SCHEMBL14970724

CCc1cc(OC)ccc1OCCN1CCCCCC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTR2C P28335 3/20 0.52
KDM4E B2RXH2 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2B P41595 1/20 0.51
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
ACHE P22303 1/20 0.49
MCHR1 Q99705 1/20 0.49

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
Hydrochloric Acid SCHEMBL14966770 0.99 LTA4H (0.52) LTA4HSMN1; SMN2HTR2CKDM4EHTR2A
SCHEMBL14970728 0.89 LTA4H (0.53) LTA4HSMN1; SMN2HTR2CKDM4EPOLB
Hydrochloric Acid SCHEMBL14966567 0.88 LTA4H (0.52) LTA4HSMN1; SMN2KDM4EPOLBMAPT
SCHEMBL1578671 0.83 LTA4H (0.56) LTA4HSMN1; SMN2HTR2CHTR2AHTR2B
SCHEMBL14970722 0.82 SMN1; SMN2 (0.55) LTA4HSMN1; SMN2HTR2CKDM4EMAPT
SCHEMBL14970510 0.82 SMN1; SMN2 (0.55) SMN1; SMN2KDM4E
SCHEMBL16979837 0.82 SMN1; SMN2 (0.69) SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL14966443 0.81 SMN1; SMN2 (0.53) SMN1; SMN2HTR2CKDM4E
SCHEMBL15508836 0.81 SMN1; SMN2 (0.52) LTA4HSMN1; SMN2HTR2CKDM4EHTR2A
SCHEMBL4465080 0.81 SMN1; SMN2 (0.52) LTA4HSMN1; SMN2KDM4EPOLBMCHR1

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-2013074965-A1 AMINOALKYL PHENOL ETHER INHIBITORS OF INFLUENZA A VIRUS MICROBIOTIX, INC. (US) 2013-05-23 WO disclosed