SCHEMBL4279632

SCHEMBL4279632

CC(=O)OOc1cccc(CCCCI)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
PPARA Q07869 6/20 0.46
PPARG P37231 5/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ACHE P22303 1/20 0.42
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL4282042 0.96 MTNR1A (0.48) MTNR1AMTNR1BPPARAPPARGHDAC1
SCHEMBL4268391 0.87 CYP4F2 (0.54) MTNR1AMTNR1BPPARAPPARGHDAC1
SCHEMBL1635492 0.86 PPARA (0.63) MTNR1AMTNR1BPPARAPPARGHDAC1
SCHEMBL4268400 0.85 CYP4F2 (0.50) MTNR1AMTNR1BPPARAPPARGHDAC1
SCHEMBL4279635 0.85 CYP3A4 (0.50) MTNR1AMTNR1BPPARAPPARGHDAC1
SCHEMBL4282046 0.81 CYP3A4 (0.51) MTNR1AMTNR1BPPARAPPARGHDAC1
SCHEMBL4270867 0.80 MTNR1A (0.42) MTNR1AMTNR1BPPARAPPARGHDAC1
SCHEMBL4272531 0.79 MTNR1A (0.44) MTNR1AMTNR1B
SCHEMBL4278418 0.79 MTNR1A (0.43) MTNR1AMTNR1BPPARAPPARGHDAC1
SCHEMBL20597733 0.79 LOXL2 (0.50) MTNR1AMTNR1BACHETAAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 WO disclosed