SCHEMBL8232146

SCHEMBL8232146

NC(CCCCCC(=O)O)(C(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
LMNA P02545 3/20 0.55
NFKB1 P19838 2/20 0.55
PMP22 Q01453 1/20 0.55
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
ALOX15 P16050 2/20 0.50
KMT2A Q03164 2/20 0.50
PLG P00747 1/20 0.50
THRB P10828 1/20 0.50
SLC6A2 P23975 1/20 0.50
RECQL P46063 1/20 0.50
SLC6A3 Q01959 1/20 0.50
GPR84 Q9NQS5 8/20 0.46
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 2/20 0.46
CYP2D6 P10635 1/20 0.46
PPARG P37231 6/20 0.44
PPARD Q03181 6/20 0.44
PPARA Q07869 6/20 0.44

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
SCHEMBL9829235 0.83 GPR84 (0.48) TSHRLMNAALDH1A1MEN1ALOX15
SCHEMBL31009783 0.82 TSHR (0.55) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL497446 0.82 TSHR (0.55) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL498122 0.82 TSHR (0.55) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL28977817 0.82 TSHR (0.55) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL7771205 0.82 TSHR (0.55) TSHRLMNANFKB1PMP22ALDH1A1
Pimelic Acid SCHEMBL18600626 0.82 TSHR (0.55) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL31282546 0.81 TSHR (0.60) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL349876 0.80 THRB (0.54) TSHRLMNANFKB1PMP22ALDH1A1
Hydrochloric Acid SCHEMBL27405461 0.80 TSHR (0.52) TSHRLMNANFKB1PMP22ALDH1A1

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-6083480-A RADIOTHERAPEUTIC REAGENTS AND PEPTIDES, RADIODIAGNOSTIC REAGENTS AND PEPTIDES DIATIDE, INC. (US) 2000-07-04 US disclosed