SCHEMBL6203634

SCHEMBL6203634

O=C(c1ccc(Cl)cc1)C(Cc1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 1/20 0.57
EPHX1 P07099 1/20 0.56
PTPN1 P18031 11/20 0.53
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MDM2 Q00987 1/20 0.50
LMNA P02545 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PPARG P37231 2/20 0.48
PPARA Q07869 2/20 0.48
KDM4E B2RXH2 1/20 0.47
GAA P10253 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
SCHEMBL6203944 0.88 EPHX1 (0.65) EPHX1PTPN1L3MBTL1MDM2LMNA
SCHEMBL30466138 0.82 NTSR1 (0.58) NTSR1MAPTL3MBTL1LMNAHSD17B10
SCHEMBL3370947 0.81 EPHX1 (0.56) EPHX1PPARGPPARA
SCHEMBL605909 0.81 P4HTM (0.56) EPHX1MAPTL3MBTL1PPARGPPARA
SCHEMBL6203529 0.81 TSHR (0.52) PTPN1MAPTLMNAGAA
SCHEMBL22394830 0.80 EPHX1 (0.54) EPHX1PPARGPPARA
SCHEMBL6201072 0.80 TSHR (0.48) PTPN1MAPTLMNA
SCHEMBL11733805 0.79 POLB (0.60) NTSR1MAPTL3MBTL1LMNAHSD17B10
SCHEMBL29240046 0.79 PTPN1 (0.59) EPHX1PTPN1MDM2LMNAHSD17B10
SCHEMBL11520271 0.79 POLB (0.60) NTSR1MAPTL3MBTL1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed