SCHEMBL4583211

SCHEMBL4583211

COOC(=O)c1ccc(N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.62
CYP1A2 P05177 3/20 0.62
CYP3A4 P08684 3/20 0.62
MAOA P21397 2/20 0.62
TSHR P16473 2/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
PDE4D Q08499 1/20 0.55
MAPT P10636 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP2D6 P10635 2/20 0.50
HTR3A P46098 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
BLM P54132 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PHLPP2 Q6ZVD8 1/20 0.49
GAA P10253 2/20 0.46
SCN1A P35498 2/20 0.46

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
SCHEMBL2393266 0.89 LMNA (0.52) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL6228872 0.86 LMNA (0.59) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL20953380 0.82 CA1 (0.48) LMNATSHRMAPTALDH1A1TDP1
SCHEMBL42732 0.82 CA1 (0.64) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL10309194 0.81 PLAU (0.49) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL5493258 0.80 CA1 (0.45) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL2393271 0.80 CA1 (0.56) LMNATSHRMAPTALDH1A1TDP1
SCHEMBL19578373 0.80 HPGD (0.52) LMNATSHRMAPTRAB9AALDH1A1
SCHEMBL6341742 0.80 CA1 (0.68) LMNACYP1A2TSHRCYP2C19MAPT
Hydrochloric Acid SCHEMBL8359634 0.80 CA1 (0.61) LMNACYP1A2CYP3A4MAOATSHR

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-1910275-A2 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD Giuliani International Limited (IE) 2008-04-16 EP disclosed
WO-2007010514-A2 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD GIULIANI INTERNATIONAL LIMITED (IE) 2007-01-25 WO disclosed