SCHEMBL6780486

SCHEMBL6780486

CC(=O)C1=C(O)C(=O)N(Cc2cc(F)cc(F)c2)C1c1ccco1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.75
KDM4E B2RXH2 6/20 0.75
POLB P06746 3/20 0.75
TDP1 Q9NUW8 2/20 0.75
APEX1 P27695 1/20 0.75
FPR1 P21462 2/20 0.60
HTT P42858 3/20 0.58
HSD17B10 Q99714 2/20 0.58
ALOX12 P18054 1/20 0.58
GLA P06280 1/20 0.54
ALOX15 P16050 4/20 0.53
MAPT P10636 2/20 0.53
TSHR P16473 2/20 0.53
USP2 O75604 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.43

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
SCHEMBL6779753 0.86 ALDH1A1 (1.00) ALDH1A1KDM4EPOLBTDP1APEX1
SCHEMBL6779640 0.82 ALDH1A1 (0.76) ALDH1A1KDM4EPOLBTDP1APEX1
SCHEMBL6785134 0.81 MEN1 (0.65) ALDH1A1KDM4EPOLBTDP1APEX1
SCHEMBL6779603 0.80 KDM4E (0.64) ALDH1A1KDM4ETDP1HTTHSD17B10
SCHEMBL6779215 0.78 RXFP1 (0.58) ALDH1A1KDM4ETDP1HTTHSD17B10
SCHEMBL6781529 0.77 MEN1 (0.72) ALDH1A1KDM4ETDP1HTTHSD17B10
SCHEMBL6779616 0.70 MEN1 (0.77) ALDH1A1KDM4EPOLBTDP1APEX1
SCHEMBL6781375 0.70 KDM4E (0.60) ALDH1A1KDM4ETDP1HTTHSD17B10
SCHEMBL6786711 0.70 CCR2 (0.51) ALDH1A1
SCHEMBL6780434 0.68 RXFP1 (0.78) ALDH1A1KDM4EPOLBTDP1APEX1

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