SCHEMBL4621237

SCHEMBL4621237

CCN(C(=O)OC(=O)c1ccccc1)C(CO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
TSHR P16473 3/20 0.40
TP53 P04637 1/20 0.40
PGR P06401 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 2/20 0.38
F2 P00734 1/20 0.38
PKM P14618 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL4618744 1.00 LMNA (0.41) LMNATSHRTP53PGRADRA2A
SCHEMBL4621210 1.00 LMNA (0.41) LMNATSHRTP53PGRADRA2A
SCHEMBL4621349 0.85 PGR (0.49) LMNATSHRTP53PGRADRA2A
SCHEMBL4621225 0.85 PGR (0.49) LMNATSHRTP53PGRADRA2A
SCHEMBL4618951 0.85 PGR (0.49) LMNATSHRTP53PGRADRA2A
SCHEMBL4621338 0.84 ALDH1A1 (0.42) LMNATSHRTP53ALDH1A1KMT2A
SCHEMBL4624373 0.84 ALDH1A1 (0.42) LMNATSHRTP53ALDH1A1KMT2A
SCHEMBL4622143 0.84 ALDH1A1 (0.42) LMNATSHRTP53ALDH1A1KMT2A
SCHEMBL12984130 0.81 ALDH1A1 (0.47) LMNAPGRADRA2AADRA2BHTR2A
SCHEMBL28994930 0.76 ALDH1A1 (0.51) LMNATSHRPGRADRA2AADRA2B

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-1884230-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT OR AGENT FOR PREVENTING/AMELIORATING ROUGH SKIN AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-02-06 EP disclosed