SCHEMBL7272829

SCHEMBL7272829

C=CCCCC(NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 4/20 0.50
POLB P06746 3/20 0.50
MEN1 O00255 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PKM P14618 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
AADAT Q8N5Z0 1/20 0.46
HPGD P15428 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
GNPAT O15228 1/20 0.45
TSHR P16473 1/20 0.45
SDCBP O00560 1/20 0.44
SDC2 P34741 1/20 0.44
REN P00797 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL7280980 0.94 ALDH1A1 (0.57) ALDH1A1GAAKMT2APOLBMEN1
SCHEMBL7280961 0.94 ALDH1A1 (0.57) ALDH1A1GAAKMT2APOLBMEN1
SCHEMBL7280949 0.94 ALDH1A1 (0.57) ALDH1A1GAAKMT2APOLBMEN1
SCHEMBL9084021 0.90 ALDH1A1 (0.56) ALDH1A1GAAKMT2APOLBMEN1
SCHEMBL9084034 0.90 ALDH1A1 (0.56) ALDH1A1GAAKMT2APOLBMEN1
SCHEMBL7281365 0.86 ALDH1A1 (0.59) ALDH1A1GAAKMT2APOLBMEN1
SCHEMBL7281322 0.86 ALDH1A1 (0.59) ALDH1A1GAAKMT2APOLBMEN1
SCHEMBL7281335 0.86 ALDH1A1 (0.59) ALDH1A1GAAKMT2APOLBMEN1
SCHEMBL7281721 0.82 ALDH1A1 (0.54) ALDH1A1GAAKMT2APOLBMEN1
SCHEMBL7274235 0.82 ALDH1A1 (0.66) ALDH1A1GAAKMT2APOLBMEN1

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-0249223-B1 NOVEL ANTIHYPERTENSIVE AGENT MERRELL DOW PHARMACEUTICALS INC. (US) 1992-10-14 EP disclosed
EP-0249223-A2 Novel antihypertensive agent MERRELL DOW PHARMACEUTICALS INC. (US) 1987-12-16 EP disclosed