SCHEMBL4611469

SCHEMBL4611469

CC[C@H](c1ccccc1)[C@@H](C(=O)O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.61
HKDC1 Q2TB90 1/20 0.50
KMT2A Q03164 2/20 0.47
LMNA P02545 6/20 0.47
HSD17B10 Q99714 1/20 0.46
SRC P12931 1/20 0.45
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ESR1 P03372 1/20 0.42
CYP1A2 P05177 1/20 0.42
PGR P06401 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
AR P10275 1/20 0.42
MAPT P10636 1/20 0.42
CHRM1 P11229 1/20 0.42

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
SCHEMBL4611322 1.00 CYP2D6 (0.61) CYP2D6HKDC1KMT2ALMNAHSD17B10
SCHEMBL4612061 1.00 CYP2D6 (0.61) CYP2D6HKDC1KMT2ALMNAHSD17B10
SCHEMBL3395163 1.00 CYP2D6 (0.61) CYP2D6HKDC1KMT2ALMNAHSD17B10
SCHEMBL4612358 1.00 CYP2D6 (0.61) CYP2D6HKDC1KMT2ALMNAHSD17B10
SCHEMBL3497342 0.90 CYP2D6 (0.50) CYP2D6HKDC1KMT2APOLBMEN1
SCHEMBL7527118 0.85 TDP1 (0.52) CYP2D6HKDC1KMT2ALMNAHSD17B10
SCHEMBL29175552 0.82 CYP2D6 (0.59) CYP2D6HKDC1KMT2ALMNAHSD17B10
SCHEMBL67127 0.82 CYP2D6 (0.64) CYP2D6KMT2ALMNAHSD17B10SRC
SCHEMBL16093072 0.82 CYP2D6 (0.64) CYP2D6KMT2ALMNASRCMAPK1
SCHEMBL10441680 0.82 PDPK1 (0.53) CYP2D6HKDC1KMT2ALMNAHSD17B10

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-1621546-B1 Peptide ligands specific to immonoglobulins TECNOGEN SPA (IT) 2008-10-29 EP claimed