SCHEMBL7908252

SCHEMBL7908252

COC(=O)c1ccc(C(=O)c2ccc(N)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.57
CA2 P00918 4/20 0.57
CA12 O43570 3/20 0.57
CA9 Q16790 3/20 0.57
CA14 Q9ULX7 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
CA7 P43166 1/20 0.57
MAPT P10636 5/20 0.57
LMNA P02545 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
LOXL2 Q9Y4K0 1/20 0.55
MAOA P21397 1/20 0.55
GAA P10253 2/20 0.54
MAPK1 P28482 1/20 0.54
TSHR P16473 2/20 0.54
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GLA P06280 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL42732 0.94 CA1 (0.64) CA1CA2CA12CA9CA14
SCHEMBL28108955 0.91 CA1 (0.61) CA1CA2CA12CA9CA14
Hydrochloric Acid SCHEMBL8359634 0.91 CA1 (0.61) CA1CA2CA12CA9CA14
SCHEMBL2337244 0.89 CA1 (0.70) CA1CA2CA12CA9CA14
Acetic Acid SCHEMBL27617108 0.88 TSHR (0.59) CA1CA2CA12CA9CA14
SCHEMBL595996 0.88 CA1 (0.62) CA1CA2CA12CA9CA14
Sulfamide SCHEMBL27783666 0.86 STS (0.62) CA1CA2CA12CA9CA14
Nitrous Acid SCHEMBL28098777 0.86 CA1 (0.55) CA1CA2CA12CA9CA14
SCHEMBL8211759 0.84 CA1 (0.53) CA1CA2CA12CA9CA14
SCHEMBL4242980 0.84 PARP10 (0.63) CA1CA2CA12CA9CA14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1083888-A1 MULTIBINDING AGENTS THAT MODULATE PPARgamma AND RXR RECEPTORS Advanced Medicine, Inc. (US) 2001-03-21 EP disclosed
WO-1999063983-A9 MULTIBINDING AGENTS THAT MODULATE PPARη AND RXR RECEPTORS ADVANCED MEDICINE INC (US) 2000-03-23 WO disclosed
WO-1999063983-A1 MULTIBINDING AGENTS THAT MODULATE PPARη AND RXR RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed