SCHEMBL6776780

SCHEMBL6776780

CC(=O)C1=C(O)C(=O)N(Cc2ccc(C)cc2)C1c1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.66
KDM4E B2RXH2 5/20 0.63
TDP1 Q9NUW8 3/20 0.63
ALOX12 P18054 1/20 0.63
HTT P42858 1/20 0.63
HSD17B10 Q99714 1/20 0.63
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
ALDH1A1 P00352 4/20 0.61
HPGD P15428 1/20 0.61
MALT1 Q9UDY8 1/20 0.59
CCR1 P32246 3/20 0.55
PKM P14618 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CCR2 P41597 2/20 0.53

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
SCHEMBL6780926 0.94 MEN1 (0.68) RXFP1KDM4ETDP1MEN1KMT2A
SCHEMBL6779215 0.89 RXFP1 (0.58) RXFP1KDM4ETDP1ALOX12HTT
SCHEMBL6779616 0.89 MEN1 (0.77) RXFP1KDM4ETDP1ALOX12HTT
SCHEMBL6779535 0.88 MEN1 (0.80) RXFP1KDM4ETDP1MEN1KMT2A
SCHEMBL6785309 0.87 MEN1 (0.79) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL6785761 0.87 MEN1 (0.71) RXFP1KDM4ETDP1HTTHSD17B10
SCHEMBL6782138 0.87 KDM4E (0.59) RXFP1KDM4ETDP1ALOX12HTT
SCHEMBL6779603 0.86 KDM4E (0.64) RXFP1KDM4ETDP1ALOX12HTT
SCHEMBL6781375 0.85 KDM4E (0.60) RXFP1KDM4ETDP1ALOX12HTT
SCHEMBL6781774 0.84 MEN1 (0.58) RXFP1KDM4ETDP1ALOX12HTT

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