SCHEMBL8889564

SCHEMBL8889564

CCC([C]=O)Oc1ccc(F)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.39
PPARG P37231 4/20 0.38
IDO1 P14902 2/20 0.38
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 2/20 0.37
P2RX3 P56373 1/20 0.36
CYP2C8 P10632 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
DRD2 P14416 2/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
EPHX2 P34913 2/20 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
SCHEMBL8887789 0.78 IDO1 (0.44) MRGPRX4PPARGIDO1RXRARXRB
SCHEMBL8889567 0.77 MRGPRX4 (0.39) MRGPRX4PPARGIDO1RXRARXRB
SCHEMBL22621594 0.75 RXRA (0.50) MRGPRX4PPARGIDO1RXRARXRB
SCHEMBL5665054 0.72 CA1 (0.36)
SCHEMBL12967974 0.72 MRGPRX4 (0.44) MRGPRX4PPARGIDO1RXRARXRB
SCHEMBL8889730 0.72 ALDH1A1 (0.40) PPARG
SCHEMBL12968476 0.71 MRGPRX4 (0.43) MRGPRX4IDO1RXRARXRBRXRG
SCHEMBL12968030 0.71 MRGPRX4 (0.43) MRGPRX4IDO1RXRARXRBRXRG
SCHEMBL5143774 0.70 MAPK1 (0.49) PPARGRXRA
SCHEMBL24305899 0.69 MRGPRX4 (0.47) MRGPRX4IDO1RXRARXRBRXRG

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-5691340-A CENTRAL NERVOUS SYSTEM DISORDERS, STROKES, CARDIOVASCULAR DISORDERS, ALZHEIMER*S DISEASE OR ANTIINFLAMMATORY AGENTS ADIR ET COMPAGNIE (FR) 1997-11-25 US disclosed