SCHEMBL7710677

SCHEMBL7710677

CC(C)(C)c1c(N[C@@](C)(Cc2ccc(Oc3nc(Cl)cc4ccccc34)cc2)C(=O)O)c(=O)c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
TOP2A P11388 2/20 0.33
TOP2B Q02880 2/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
PPARG P37231 6/20 0.32
PPARA Q07869 1/20 0.32
P2RX3 P56373 3/20 0.32
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32
FFAR1 O14842 1/20 0.32
NPY5R Q15761 1/20 0.32
ALOX5AP P20292 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL7714164 0.84 ACACB (0.34) KMT2ATOP2ATOP2BACACBACACA
SCHEMBL7714203 0.84 HPGD (0.36) PPARGALOX5APALDH1A1LMNAMAPT
SCHEMBL7710699 0.82 ITGB1 (0.45)
SCHEMBL7710671 0.79 ELANE (0.40) KMT2APPARGPPARAALDH1A1LMNA
SCHEMBL7710675 0.79 ELANE (0.40) KMT2APPARGPPARAALDH1A1LMNA
SCHEMBL7710672 0.77 AKR1B1 (0.34) KMT2APPARGFFAR1KDM4EMAPT
SCHEMBL7718431 0.74 SLC8A1 (0.33) PPARG
SCHEMBL7716478 0.73 KDM4E (0.33) KMT2APPARGP2RX3KDM4EALDH1A1
SCHEMBL7718445 0.71 ACE (0.53) PPARGPPARA
SCHEMBL7718449 0.68 ITGB1 (0.64) 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