SCHEMBL5164472

SCHEMBL5164472

COc1cccc(OC)c1NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
GAA P10253 1/20 0.57
ITGA4 P13612 11/20 0.57
ITGB1 P05556 10/20 0.57
FPR2 P25090 2/20 0.53
ALOX15 P16050 1/20 0.51
ITGB7 P26010 2/20 0.49
TAAR1 Q96RJ0 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 1/20 0.48

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
SCHEMBL5164476 1.00 ALDH1A1 (0.57) ALDH1A1GAAITGA4ITGB1FPR2
SCHEMBL2830729 0.90 ATM (0.53) ALDH1A1GAAITGA4ITGB7
SCHEMBL2830730 0.90 ATM (0.53) ALDH1A1GAAITGA4ITGB7
SCHEMBL7424677 0.85 ALDH1A1 (0.57) ALDH1A1GAAITGA4ITGB1FPR2
SCHEMBL7386258 0.85 ALDH1A1 (0.57) ALDH1A1GAAITGA4ITGB1FPR2
SCHEMBL7382357 0.80 CYP3A4 (0.55) ALDH1A1GAAITGA4ITGB1FPR2
SCHEMBL7382884 0.79 POLB (0.52) ALDH1A1GAAITGA4ITGB1FPR2
SCHEMBL7390734 0.78 ALDH1A1 (0.67) ALDH1A1GAAITGA4FPR2ALOX15
SCHEMBL5215651 0.78 ALDH1A1 (0.67) ALDH1A1GAAITGA4FPR2ALOX15
SCHEMBL6368357 0.77 ALDH1A1 (0.62) ALDH1A1GAAFPR2ALOX15L3MBTL1

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-1763361-A2 STEROID SPARING AGENTS AND THEIR USE Elan Pharmaceuticals, Inc. (US) 2007-03-21 EP disclosed
WO-2005097162-A2 STEROID SPARING AGENTS AND THEIR USE ELAN PHARMACEUTICALS, INC. (US) 2005-10-20 WO disclosed