SCHEMBL7908137

SCHEMBL7908137

COC(=O)c1ccc(C(=O)c2cccc(N)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.66
NPC1 O15118 3/20 0.61
MITF O75030 1/20 0.61
LMNA P02545 1/20 0.61
POLB P06746 1/20 0.61
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA9 Q16790 3/20 0.54
TSHR P16473 1/20 0.53
MAPT P10636 4/20 0.50
LOXL2 Q9Y4K0 2/20 0.50
GAA P10253 2/20 0.50
MAPK1 P28482 2/20 0.50
CA12 O43570 2/20 0.49
CA14 Q9ULX7 2/20 0.49
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
ATM Q13315 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47

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
SCHEMBL29836775 0.88 LOXL2 (0.61) PBRM1NPC1MITFLMNAPOLB
SCHEMBL134170 0.88 LOXL2 (0.61) PBRM1NPC1MITFLMNAPOLB
Hydrochloric Acid SCHEMBL2477797 0.86 LOXL2 (0.59) PBRM1NPC1MITFLMNAPOLB
SCHEMBL2339850 0.86 TSHR (0.61) NPC1POLBCA1CA2CA9
SCHEMBL203373 0.86 PBRM1 (0.88) PBRM1NPC1MITFLMNAPOLB
SCHEMBL9097509 0.86 PBRM1 (0.88) PBRM1NPC1MITFLMNAPOLB
SCHEMBL29492473 0.86 PBRM1 (0.88) PBRM1NPC1MITFLMNAPOLB
SCHEMBL7898874 0.84 TSHR (0.50) PBRM1NPC1MITFLMNAPOLB
SCHEMBL6797504 0.83 PBRM1 (0.66) PBRM1NPC1MITFLMNAPOLB
SCHEMBL7908252 0.82 CA1 (0.57) LMNACA1CA2CA9TSHR

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