SCHEMBL8669845

SCHEMBL8669845

CC(=O)C(Oc1ccccc1)(C(=O)O)N1CCN(C2CCNCC2)C(=O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
SSTR4 P31391 2/20 0.37
SSTR1 P30872 1/20 0.37
PARP1 P09874 3/20 0.36
KHK P50053 4/20 0.34
HRH1 P35367 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
HTR6 P50406 1/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
EPHX1 P07099 1/20 0.31

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
Hydrochloric Acid SCHEMBL8670984 0.99 TP53 (0.39) TP53SSTR4SSTR1PARP1KHK
SCHEMBL8666641 0.83 SSTR4 (0.37) SSTR4SSTR1PARP1KHKHRH1
SCHEMBL8670582 0.82 SSTR4 (0.36) SSTR4SSTR1KHKHRH1
Hydrochloric Acid SCHEMBL8670941 0.82 SSTR4 (0.36) SSTR4SSTR1PARP1HRH1EPHX1
SCHEMBL8482988 0.78 SSTR4 (0.39) SSTR4SSTR1KHKHRH1
Hydrochloric Acid SCHEMBL8480749 0.77 SSTR4 (0.39) SSTR4SSTR1KHKHRH1
SCHEMBL8668015 0.76 SSTR4 (0.38) SSTR4SSTR1PARP1KHKHRH1
Hydrochloric Acid SCHEMBL8670955 0.75 SSTR4 (0.38) SSTR4SSTR1PARP1KHKHRH1
SCHEMBL8670654 0.70 ITGB3 (0.35) SSTR4SSTR1HTR2C
SCHEMBL8669847 0.69 TP53 (0.38) TP53SSTR4SSTR1PARP1KHK

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
US-5814636-A TREATMENT AND PROPHYLAXIS OF THROMBOTIC DISEASES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-09-29 US disclosed