SCHEMBL6778710

SCHEMBL6778710

CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 7/20 1.00
CCR2 P41597 2/20 1.00
RXFP1 Q9HBX9 7/20 0.90
ATM Q13315 1/20 0.90
MEN1 O00255 5/20 0.79
KMT2A Q03164 5/20 0.79
L3MBTL1 Q9Y468 1/20 0.76
KDM4E B2RXH2 4/20 0.64
MAPT P10636 1/20 0.62
HPGD P15428 2/20 0.60
ALDH1A1 P00352 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL6781571 0.95 RXFP1 (1.00) CCR1CCR2RXFP1ATMMEN1
SCHEMBL14563954 0.88 RXFP1 (0.87) CCR1CCR2RXFP1ATMMEN1
SCHEMBL6776725 0.87 RXFP1 (1.00) CCR1CCR2RXFP1ATMMEN1
SCHEMBL6781611 0.87 CCR1 (1.00) CCR1CCR2RXFP1ATMMEN1
SCHEMBL6782671 0.86 CCR1 (1.00) CCR1CCR2RXFP1ATMMEN1
SCHEMBL13662472 0.82 MAPT (0.84) CCR1CCR2RXFP1ATMMEN1
SCHEMBL6781447 0.80 CCR1 (0.74) CCR1CCR2RXFP1ATMMEN1
SCHEMBL6779535 0.80 MEN1 (0.80) CCR1CCR2RXFP1ATMMEN1
SCHEMBL6483258 0.77 KDM4E (1.00) CCR1CCR2RXFP1ATMMEN1
SCHEMBL15709491 0.77 CCR1 (0.82) CCR1CCR2RXFP1ATMMEN1

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-6727275-B2 ANTIINFLAMMATORY, ANTIALLERGEN, AND ANTIASTHMATIC AGENTS UCB, S.A./N.V. (BE) 2004-04-27 US claimed