SCHEMBL6784871

SCHEMBL6784871

CC(=O)C1=C(O)C(=O)N(Cc2cccc3ccccc23)C1c1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CCR1 P32246 4/20 0.51
KDM4E B2RXH2 6/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 4/20 0.49
HPGD P15428 1/20 0.49
KAT8 Q9H7Z6 1/20 0.48
HTT P42858 2/20 0.47
RXFP1 Q9HBX9 2/20 0.47
MAPT P10636 1/20 0.47
ALOX12 P18054 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CCR2 P41597 2/20 0.46

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
SCHEMBL6777293 0.92 KDM4E (0.60) MEN1KMT2ACCR1KDM4EALOX15
SCHEMBL6782306 0.90 KDM4E (0.60) MEN1KMT2AKDM4EALOX15TSHR
SCHEMBL6781299 0.90 MEN1 (0.68) MEN1KMT2ACCR1KDM4EALOX15
SCHEMBL6785309 0.81 MEN1 (0.79) MEN1KMT2ACCR1KDM4EALOX15
SCHEMBL3710669 0.79 MEN1 (0.59) MEN1KMT2AKDM4EALOX15TSHR
SCHEMBL6780926 0.79 MEN1 (0.68) MEN1KMT2ACCR1KDM4EALOX15
SCHEMBL6785761 0.78 MEN1 (0.71) MEN1KMT2ACCR1KDM4EALOX15
SCHEMBL16904818 0.77 ALDH1A1 (0.50) MEN1KMT2AKDM4EALOX15TSHR
SCHEMBL6779535 0.74 MEN1 (0.80) MEN1KMT2ACCR1KDM4EALDH1A1
SCHEMBL6776780 0.74 RXFP1 (0.66) MEN1KMT2ACCR1KDM4EALDH1A1

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