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SCHEMBL6225191

SCHEMBL6225191

CCCCCNC(=O)Nc1cc(Cl)cc(C(C)O)c1O.CCCCCNC(=O)Nc1cc(Cl)cc(C(C)O)c1O.CCOC(=O)CCNC(=O)Nc1cc(Cl)cc(C(C)O)c1O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 9/20 0.46
▸ ALDH1A1 P00352 1/20 0.43
▸ EPHX1 P07099 4/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CASR P41180 1/20 0.39
▸ MAPT P10636 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
SCHEMBL4347100 0.94 MEN1 (0.42) EPHX2ALDH1A1MEN1KMT2ACASR
SCHEMBL4341661 0.90 EPHX1 (0.49) EPHX2ALDH1A1EPHX1CASRMAPT
SCHEMBL27782802 0.86 MAPT (0.46) EPHX2ALDH1A1EPHX1CASRMAPT
SCHEMBL4346301 0.80 MEN1 (0.46) EPHX2ALDH1A1MEN1KMT2ACASR
SCHEMBL4359586 0.77 ALDH1A1 (0.45) EPHX2ALDH1A1EPHX1MEN1KMT2A
SCHEMBL4346441 0.77 SMN1; SMN2 (0.45) ALDH1A1EPHX1MAPT
SCHEMBL6228224 0.76 EPHX2 (0.47) EPHX2ALDH1A1EPHX1MEN1KMT2A
SCHEMBL6227554 0.76 HTT (0.54) EPHX2ALDH1A1EPHX1MEN1KMT2A
SCHEMBL4341672 0.75 EPHX1 (0.54) EPHX2ALDH1A1EPHX1MAPT
SCHEMBL27761077 0.73 SMN1; SMN2 (0.49) ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539683-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS Jerini AG (DE) 2005-06-15 — — EP claimed
WO-2004026815-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS JERINI AG (DE) 2004-04-01 — — WO claimed