SCHEMBL4275709

SCHEMBL4275709

CC(=O)OOc1cc(CCCI)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
LMNA P02545 1/20 0.34
GLA P06280 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
SCHEMBL4266924 0.87 CYP4A11 (0.52) CYP4F2CYP4A11MTNR1AMTNR1BPPARA
SCHEMBL4275713 0.86 CYP4F2 (0.66) CYP4F2CYP4A11MTNR1AMTNR1B
SCHEMBL3169286 0.76 PTGDR2 (0.43) CYP4F2CYP4A11PPARGPPARA
SCHEMBL4281884 0.75 CHRM2 (0.36) CYP4F2CYP4A11MTNR1AMTNR1B
SCHEMBL4268356 0.75 KCNH2 (0.50) CYP4F2CYP4A11MTNR1AMTNR1B
SCHEMBL4282042 0.74 MTNR1A (0.48) MTNR1AMTNR1BTAAR1PPARGPPARA
SCHEMBL4266928 0.72 CYP4A11 (0.72) CYP4F2CYP4A11
SCHEMBL4275384 0.72 PTGDR2 (0.55) LMNA
SCHEMBL4279632 0.70 MTNR1A (0.47) CYP4F2CYP4A11MTNR1AMTNR1BTAAR1
SCHEMBL7496943 0.69 DAO (0.42)

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