SCHEMBL23715786

SCHEMBL23715786

CC(C)C(NNOc1ccc(Cl)c(Cl)c1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SLC6A4 P31645 4/20 0.40
HTR2A P28223 3/20 0.40
KCNH2 Q12809 2/20 0.40
JAK2 O60674 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
HPGD P15428 1/20 0.35
KMO O15229 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
THRB P10828 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
HTT P42858 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 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
SCHEMBL23716330 0.77 MDM2 (0.38) ALDH1A1LMNAKDM4ESLC6A4HTR2A
SCHEMBL23716419 0.71 SLC6A3 (0.35) ALDH1A1KDM4ESLC6A4HTR2AKCNH2
SCHEMBL9152734 0.71 ALDH1A1 (0.46) ALDH1A1LMNAKDM4ESLC6A4HTR2A
SCHEMBL7679890 0.69 SMN1; SMN2 (0.47) ALDH1A1LMNAKDM4ESLC6A4HTR2A
SCHEMBL7673452 0.69 SMN1; SMN2 (0.47) ALDH1A1LMNAKDM4ESLC6A4HTR2A
SCHEMBL7679892 0.69 SMN1; SMN2 (0.47) ALDH1A1LMNAKDM4ESLC6A4HTR2A
SCHEMBL23716290 0.67 SLC6A4 (0.38) ALDH1A1LMNAKDM4ESLC6A4HTR2A
SCHEMBL7318571 0.65 PPARG (0.41) ALDH1A1LMNAKDM4EJAK2PPARG
SCHEMBL11068943 0.65 PPARG (0.41) ALDH1A1LMNAKDM4EJAK2PPARG
SCHEMBL10668698 0.65 MMP8 (0.51) ALDH1A1LMNAKDM4ESLC6A4HTR2A

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-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed