SCHEMBL6776725

SCHEMBL6776725

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 8/20 1.00
CCR1 P32246 7/20 0.87
CCR2 P41597 2/20 0.77
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
ATM Q13315 1/20 0.67
KDM4E B2RXH2 3/20 0.64
HPGD P15428 3/20 0.64
HIF1A Q16665 1/20 0.64
LMNA P02545 1/20 0.59
ALDH1A1 P00352 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58

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
SCHEMBL14563954 0.88 RXFP1 (0.87) RXFP1CCR1CCR2MEN1KMT2A
SCHEMBL6778710 0.87 CCR1 (1.00) RXFP1CCR1CCR2MEN1KMT2A
SCHEMBL6781611 0.87 CCR1 (1.00) RXFP1CCR1CCR2MEN1KMT2A
SCHEMBL6782671 0.86 CCR1 (1.00) RXFP1CCR1CCR2MEN1KMT2A
SCHEMBL10146036 0.82 RXFP1 (0.69) RXFP1CCR1CCR2MEN1KMT2A
SCHEMBL6781571 0.81 RXFP1 (1.00) RXFP1CCR1CCR2MEN1KMT2A
SCHEMBL6781447 0.80 CCR1 (0.74) RXFP1CCR1CCR2MEN1KMT2A
SCHEMBL6776780 0.80 RXFP1 (0.66) RXFP1CCR1CCR2MEN1KMT2A
SCHEMBL15709491 0.77 CCR1 (0.82) RXFP1CCR1CCR2MEN1KMT2A
SCHEMBL10117251 0.76 RXFP1 (0.80) RXFP1CCR1MEN1KMT2AATM

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