SCHEMBL23904673

SCHEMBL23904673

C[C@H](CC(=O)O)N(CCOc1ccccc1OCC(F)(F)F)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.36
RBP4 P02753 1/20 0.36
LMNA P02545 1/20 0.35
ABCB1 P08183 1/20 0.34
CASP3 P42574 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TBXA2R P21731 1/20 0.34
PTGIR P43119 1/20 0.34
PTGDR Q13258 1/20 0.34

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
SCHEMBL23904676 1.00 KDM4E (0.38) KDM4EALDH1A1TDP1PTGDR2RBP4
SCHEMBL23904670 0.85 KDM4E (0.40) KDM4EALDH1A1TDP1RBP4LMNA
SCHEMBL23904672 0.85 KDM4E (0.40) KDM4EALDH1A1TDP1RBP4LMNA
SCHEMBL23912947 0.76 ADRA1D (0.38) KDM4EALDH1A1RBP4ADRA1DADRA1A
SCHEMBL23904679 0.70 ADRA1A (0.53) KDM4EALDH1A1TDP1LMNAADRA1D
SCHEMBL23904680 0.70 ADRA1A (0.53) KDM4EALDH1A1TDP1LMNAADRA1D
SCHEMBL23912941 0.70 PDK2 (0.34) KDM4EALDH1A1ADRA1DADRA1AADRA1B
SCHEMBL18285962 0.68 HTT (0.45) ALDH1A1LMNAABCB1
SCHEMBL12130679 0.67 KMT2A (0.50) ALDH1A1TDP1LMNAABCB1
SCHEMBL18154139 0.67 ALDH1A1 (0.49) ALDH1A1TDP1LMNAABCB1

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-3892615-A1 PROCESS FOR THE PREPARATION OF SILODOSIN Minakem (FR) 2021-10-13 EP claimed