SCHEMBL4164534

SCHEMBL4164534

C#CCCC(=O)Oc1c(F)c(F)cc(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GSTP1 P09211 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
MAPK1 P28482 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
LMNA P02545 1/20 0.30
KMT2A Q03164 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
SCHEMBL24725230 0.90 ALOX5 (0.38) MAPTALDH1A1HTTKDM4EGSTP1
SCHEMBL20592020 0.86 MEN1 (0.32) MAPTKMT2AHSD17B10
SCHEMBL17337902 0.80 KMT2A (0.40) MAPTALDH1A1HTTKDM4ECA1
SCHEMBL17373963 0.80 VCAM1 (0.38) MAPTALDH1A1HTTKDM4ECA1
SCHEMBL19402698 0.79 VCAM1 (0.43) MAPTALDH1A1HTTKDM4ECA1
SCHEMBL890351 0.79 MAPT (0.37) MAPTALDH1A1HTTKDM4ECA1
SCHEMBL2000685 0.79 ALOX15 (0.41) MAPTALDH1A1HTTKDM4ECA1
SCHEMBL20591996 0.78 SMN1; SMN2 (0.45) ALDH1A1KMT2A
SCHEMBL31261009 0.77 MAPT (0.36) MAPTALDH1A1HTTKDM4ECA1
SCHEMBL23813739 0.77 ALDH1A1 (0.37) MAPTALDH1A1HTTKDM4ECA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210255193-A1 LYSINE REACTIVE PROBES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2021-08-19 US disclosed
US-20210255193-A1 LYSINE REACTIVE PROBES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2021-08-19 US disclosed
EP-3642630-A1 LYSINE REACTIVE PROBES AND USES THEREOF The Scripps Research Institute (US) 2020-04-29 EP disclosed
US-20180372751-A1 LYSINE REACTIVE PROBES AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-12-27 US disclosed
WO-2018237334-A1 LYSINE REACTIVE PROBES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2018-12-27 WO disclosed
US-20090047517-A1 MULTILAYER POLYMER FILMS THE UNIVERSITY OF MELBOURNE (AU) 2009-02-19 US disclosed
US-20090047517-A1 MULTILAYER POLYMER FILMS THE UNIVERSITY OF MELBOURNE (AU) 2009-02-19 US disclosed
US-20090047517-A1 MULTILAYER POLYMER FILMS THE UNIVERSITY OF MELBOURNE (AU) 2009-02-19 US disclosed