SCHEMBL7716478

SCHEMBL7716478

C[C@@H]1CC[C@H](C)N1c1c(N[C@@](C)(Cc2ccc(Oc3nc(C(F)(F)F)cc4ccccc34)cc2)C(=O)O)c(=O)c1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
ADAM17 P78536 1/20 0.33
HCRTR2 O43614 1/20 0.31
PPARG P37231 2/20 0.31
SLC8A1 P32418 1/20 0.31
P2RX3 P56373 1/20 0.30
EGLN2 Q96KS0 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
NR2E3 Q9Y5X4 1/20 0.30
MAPT P10636 3/20 0.30
SLC2A1 P11166 1/20 0.30
IGF1R P08069 1/20 0.30
NAPEPLD Q6IQ20 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL7718431 0.89 SLC8A1 (0.33) ITGB3ITGA2BADAM17PPARGSLC8A1
SCHEMBL7714164 0.89 ACACB (0.34) ITGB3ITGA2BPPARGSLC8A1KMT2A
SCHEMBL7716472 0.82 ELANE (0.36) KDM4EALDH1A1POLBP2RX3MAPT
SCHEMBL7716475 0.82 ELANE (0.36) KDM4EALDH1A1POLBP2RX3MAPT
SCHEMBL7264638 0.80 P2RX7 (0.30)
SCHEMBL7716473 0.79 TRPV1 (0.33) KDM4EALDH1A1POLBHCRTR2MEN1
SCHEMBL7710677 0.73 KMT2A (0.34) KDM4EALDH1A1POLBPPARGP2RX3
SCHEMBL7718441 0.73 ADRA2A (0.33) KDM4EALDH1A1P2RX3MEN1KMT2A
SCHEMBL7718428 0.72 ITGB1 (0.37) PPARG
SCHEMBL7718420 0.72 ITGB1 (0.37) PPARG

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-6403608-B1 ANTIINFLAMMATORY AND IMMUNE DISORDERS CELLTECH R&D, LTD. (GB) 2002-06-11 US disclosed