SCHEMBL332422

SCHEMBL332422

CN[C@](CO)(Cc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
CYP2D6 P10635 2/20 0.48
HIF1A Q16665 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2C9 P11712 2/20 0.41
MMP8 P22894 5/20 0.40
RECQL P46063 2/20 0.40
CYP1A2 P05177 2/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC6A2 P23975 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
FDPS P14324 1/20 0.38
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL21621500 1.00 LMNA (0.48) LMNACYP2D6HIF1ASMN1; SMN2CYP3A4
SCHEMBL27300436 1.00 LMNA (0.48) LMNACYP2D6HIF1ASMN1; SMN2CYP3A4
SCHEMBL27298902 0.86 CYP2D6 (0.46) LMNACYP2D6HIF1ASMN1; SMN2CYP3A4
SCHEMBL28465870 0.86 LMNA (0.48) LMNACYP2D6HIF1ASMN1; SMN2CYP3A4
SCHEMBL2212403 0.80 LMNA (0.43) LMNACYP2D6HIF1ASMN1; SMN2CYP3A4
SCHEMBL28250030 0.79 SMN1; SMN2 (0.44) LMNACYP2D6HIF1ASMN1; SMN2CYP3A4
SCHEMBL957507 0.78 FDPS (0.46) HIF1ASMN1; SMN2CYP3A4CYP2C19ALDH1A1
SCHEMBL4452546 0.78 LMNA (0.52) LMNACYP2D6HIF1ASMN1; SMN2CYP3A4
SCHEMBL1486201 0.77 CA12 (0.47) CYP3A4CYP2C19ALDH1A1CYP2C9RECQL
SCHEMBL5188910 0.76 ALDH1A1 (0.42) LMNACYP2D6HIF1ASMN1; SMN2ALDH1A1

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-2407478-A1 New cyclotetrapeptides with pro-angiogenic properties GENETADI Biotech, S.L. (ES) 2012-01-18 EP disclosed