SCHEMBL2435977

SCHEMBL2435977

O=C1C(O)[C@H](O)C(=O)N1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 1.00
KMT2A Q03164 1/20 1.00
ALDH1A1 P00352 6/20 0.59
ELANE P08246 2/20 0.59
F2 P00734 1/20 0.59
PLG P00747 1/20 0.59
CTSG P08311 1/20 0.59
CMA1 P23946 1/20 0.59
CTRC Q99895 1/20 0.59
TSHR P16473 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GSK3A P49840 1/20 0.55
GSK3B P49841 1/20 0.55
MGLL Q99685 1/20 0.55
EP300 Q09472 2/20 0.55
HPGD P15428 2/20 0.53
LMNA P02545 1/20 0.53
CYP2C9 P11712 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL3990677 1.00 MEN1 (1.00) MEN1KMT2AALDH1A1ELANEF2
SCHEMBL1503988 1.00 MEN1 (1.00) MEN1KMT2AALDH1A1ELANEF2
SCHEMBL14189454 1.00 MEN1 (1.00) MEN1KMT2AALDH1A1ELANEF2
SCHEMBL2435698 1.00 MEN1 (1.00) MEN1KMT2AALDH1A1ELANEF2
SCHEMBL8714088 1.00 MEN1 (1.00) MEN1KMT2AALDH1A1ELANEF2
SCHEMBL7825065 0.83 MEN1 (0.70) MEN1KMT2AALDH1A1ELANEF2
SCHEMBL16775234 0.83 KMT2A (0.70) MEN1KMT2AALDH1A1ELANEF2
SCHEMBL16759895 0.83 KMT2A (0.70) MEN1KMT2AALDH1A1ELANEF2
SCHEMBL22647700 0.81 KMT2A (0.68) MEN1KMT2AALDH1A1ELANEF2
SCHEMBL22571107 0.81 KMT2A (0.66) MEN1KMT2AALDH1A1ELANEF2

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
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed