SCHEMBL8037475

SCHEMBL8037475

CCOc1ccc(CCN)cc1.O=C(O)c1ccc(Br)cc1.O=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.44
RXRB P28702 3/20 0.44
MAOB P27338 4/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
PPARD Q03181 4/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
NR4A2 P43354 2/20 0.41
PLA2G4B P0C869 1/20 0.40
RXRG P48443 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37

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
4-Methylbenzoic Acid SCHEMBL8035699 0.91 MAOB (0.43) RXRARXRBMAOBCYP1A1CYP1B1
Benzoic Acid SCHEMBL7792805 0.91 PPARA (0.43) RXRARXRBMAOBCYP1A1CYP1B1
SCHEMBL7802496 0.90 RXRA (0.46) RXRARXRBMAOBCYP1A1CYP1B1
SCHEMBL7798600 0.88 SRD5A2 (0.46) RXRARXRBNR4A2SMN1; SMN2
SCHEMBL7801557 0.87 MAOB (0.51) RXRARXRBMAOBCYP1A1CYP1B1
Tyramine SCHEMBL8039128 0.86 SRD5A2 (0.41) RXRARXRBMAOBNR4A2RXRG
Phenethylamine SCHEMBL7799012 0.86 RXRA (0.42) RXRARXRBNR4A2RXRG
SCHEMBL7798427 0.85 SRD5A2 (0.40) RXRARXRBRXRG
Benzoic Acid SCHEMBL7798463 0.84 MAOB (0.49) MAOBCYP1A1CYP1B1PPARANR4A2
SCHEMBL7792606 0.83 KDM4E (0.45) RXRARXRBPPARDPPARARXRG

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-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US disclosed