SCHEMBL1664328

SCHEMBL1664328

Nc1ccc2[nH]cc(CC(=O)O)c2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.73
CYP2C19 P33261 2/20 0.73
TSHR P16473 5/20 0.69
CYP2C9 P11712 3/20 0.69
ALDH1A1 P00352 3/20 0.69
LMNA P02545 3/20 0.69
NPSR1 Q6W5P4 3/20 0.69
NFKB1 P19838 2/20 0.69
PMP22 Q01453 2/20 0.69
GLA P06280 1/20 0.69
KDM4E B2RXH2 3/20 0.62
HTR7 P34969 5/20 0.52
NR4A1 P22736 1/20 0.50
ICMT O60725 4/20 0.49
HTR1A P08908 6/20 0.49
HTR2C P28335 5/20 0.49
HTR1B P28222 4/20 0.49
HTR1D P28221 3/20 0.49
CYP1A2 P05177 3/20 0.49
KMT2A Q03164 3/20 0.49

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
SCHEMBL28551447 0.87 ALDH1A1 (0.56) HPGDCYP2C19TSHRCYP2C9ALDH1A1
SCHEMBL1519943 0.84 CYP2C19 (1.00) HPGDCYP2C19TSHRCYP2C9ALDH1A1
SCHEMBL138121 0.82 NPSR1 (1.00) HPGDCYP2C19TSHRCYP2C9ALDH1A1
SCHEMBL29350604 0.82 NPSR1 (1.00) HPGDCYP2C19TSHRCYP2C9ALDH1A1
SCHEMBL14487735 0.82 HPGD (0.58) HPGDCYP2C19TSHRCYP2C9ALDH1A1
SCHEMBL5337098 0.81 TSHR (0.66) HPGDCYP2C19TSHRCYP2C9ALDH1A1
SCHEMBL1615011 0.81 TSHR (0.69) HPGDTSHRCYP2C9ALDH1A1LMNA
SCHEMBL6116786 0.81 TSHR (0.69) HPGDTSHRCYP2C9ALDH1A1LMNA
SCHEMBL5067817 0.81 TSHR (0.69) HPGDCYP2C19TSHRCYP2C9ALDH1A1
SCHEMBL31238472 0.81 TSHR (0.69) HPGDCYP2C19TSHRCYP2C9ALDH1A1

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-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed