SCHEMBL4730780

SCHEMBL4730780

CC(C)(C)OC(=O)COc1ccc2c(c1)CC(NC(=O)OC(C)(C)C)C2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
HDAC8 Q9BY41 10/20 0.43
ALDH1A1 P00352 1/20 0.42
SIGMAR1 Q99720 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA9 Q16790 1/20 0.39

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
SCHEMBL8765787 0.91 POLB (0.50) EPHX2HDAC8ALDH1A1
SCHEMBL4853024 0.90 ALOX15 (0.49) EPHX2HDAC8MTNR1AMTNR1B
SCHEMBL4736598 0.89 EPHX2 (0.44) EPHX2HDAC8MTNR1AMTNR1BCA12
SCHEMBL9443665 0.82 ADRB3 (0.51) ALDH1A1MTNR1AMTNR1BCA1CA2
SCHEMBL9443694 0.82 ADRB3 (0.51) ALDH1A1MTNR1AMTNR1BCA1CA2
SCHEMBL9443701 0.82 ADRB3 (0.51) ALDH1A1MTNR1AMTNR1BCA1CA2
SCHEMBL7035289 0.81 MTNR1A (0.53) EPHX2MTNR1AMTNR1BCA1CA2
SCHEMBL5681677 0.81 MTNR1A (0.53) EPHX2MTNR1AMTNR1BCA1CA2
SCHEMBL7275241 0.81 EPHX2 (0.47) EPHX2MTNR1AMTNR1BCA12CA1
SCHEMBL4843025 0.81 EPHX2 (0.47) EPHX2MTNR1AMTNR1BCA12CA1

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-2008061006-A1 SUBSTITUTED INDAN-2-YL, TETRAHYDRONAPHTHALEN-2-YL, OR DIHYDR0-2H-CHR0MEN-3-YL ARYLSULFONAMIDES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO disclosed