SCHEMBL5990108

SCHEMBL5990108

COc1ccc(Cl)cc1C(=O)c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
RAB9A P51151 2/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 5/20 0.52
POLB P06746 3/20 0.52
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
KDM4E B2RXH2 2/20 0.50
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KCNMA1 Q12791 2/20 0.48
GAA P10253 1/20 0.48
HIF1A Q16665 1/20 0.48
KLF5 Q13887 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 2/20 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
SCHEMBL10713056 0.88 RORC (0.56) KMT2APOLBALDH1A1LMNAKDM4E
SCHEMBL11306685 0.86 LMNA (0.63) MAPTHPGDKMT2APOLBALDH1A1
SCHEMBL13798207 0.85 RECQL (0.62) SMN1; SMN2RAB9AMAPTHPGDKMT2A
SCHEMBL11639769 0.81 L3MBTL1 (0.44) NPC1SMN1; SMN2RAB9AHPGDKMT2A
SCHEMBL10660474 0.81 KMT2A (0.61) NPC1SMN1; SMN2RAB9AMAPTHPGD
SCHEMBL10567455 0.81 SMN1; SMN2 (0.54) NPC1SMN1; SMN2RAB9AMAPTHPGD
SCHEMBL6103175 0.80 POLB (0.66) SMN1; SMN2MAPTHPGDPOLBALDH1A1
SCHEMBL28098625 0.80 LMNA (0.54) RAB9AMAPTKMT2APOLBALDH1A1
SCHEMBL5990261 0.80 KMT2A (0.46) NPC1SMN1; SMN2RAB9AMAPTHPGD
SCHEMBL4119074 0.80 NPC1 (0.47) NPC1SMN1; SMN2RAB9AMAPTHPGD

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
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed