SCHEMBL7338156

SCHEMBL7338156

ClCc1cccc(COC2CCCCO2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.41
DHFR P00374 1/20 0.38
CREBBP Q92793 2/20 0.38
EP300 Q09472 1/20 0.38
ICAM1 P05362 1/20 0.37
SELE P16581 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TACR1 P25103 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33

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
SCHEMBL92943 0.86 KDM4C (0.41) KDM4CDHFRCREBBPEP300ICAM1
SCHEMBL16318881 0.86 KDM4C (0.41) KDM4CDHFRCREBBPEP300ICAM1
SCHEMBL1732627 0.86 KDM4C (0.41) KDM4CDHFRCREBBPEP300ICAM1
SCHEMBL2849400 0.85 ICAM1 (0.42) KDM4CDHFRCREBBPEP300ICAM1
SCHEMBL23662562 0.83 DHFR (0.43) KDM4CDHFRCREBBPEP300ICAM1
SCHEMBL10214541 0.83 L3MBTL1 (0.47) KDM4CL3MBTL1TACR1LMNA
SCHEMBL29865973 0.83 CA2 (0.45) KDM4CDHFRCA1CA2
SCHEMBL7852875 0.83 CA2 (0.45) KDM4CDHFRCA1CA2
SCHEMBL2767753 0.83 CYP4F2 (0.46) KDM4CDHFRCREBBPEP300ICAM1
SCHEMBL92954 0.82 NAAA (0.47) KDM4CCREBBPEP300MEN1KMT2A

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
US-5543517-A VIRICIDES THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-08-06 US disclosed