SCHEMBL11527896

SCHEMBL11527896

CCCCNC(=O)NSCCS

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.50
MMP2 P08253 2/20 0.40
MMP1 P03956 1/20 0.40
ACHE P22303 5/20 0.39
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL9666727 0.81 EPHX1 (0.57) EPHX1MMP2MMP1ACHEPOLB
SCHEMBL11529423 0.81 ALDH1A1 (0.32) MMP2MMP1KMT2A
SCHEMBL19741476 0.80 EPHX1 (0.64) EPHX1HTT
SCHEMBL5454992 0.77 EPHX1 (0.60) EPHX1HTT
SCHEMBL6287631 0.77 EPHX1 (0.68) EPHX1MMP2MMP1ACHE
SCHEMBL6290290 0.77 EPHX1 (0.68) EPHX1MMP2MMP1ACHE
SCHEMBL11519629 0.76 EPHX1 (0.52) EPHX1MMP2MMP1ACHEPOLB
SCHEMBL6009312 0.75 EPHX1 (0.59) EPHX1MMP2MMP1ACHEPOLB
SCHEMBL6289712 0.75 EPHX1 (0.72) EPHX1MMP2MMP1ACHE
SCHEMBL320112 0.73 EPHX1 (0.85) EPHX1MMP2MMP1ACHE

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-4171325-A Chemical process SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-10-16 US disclosed