SCHEMBL11511477

SCHEMBL11511477

COc1ccc2c(=O)cc(C[S+](C)[O-])oc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.60
CYP11B1 P15538 2/20 0.58
MAOB P27338 3/20 0.55
CYP11B2 P19099 1/20 0.54
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 6/20 0.52
EPHX2 P34913 1/20 0.52
TNKS O95271 1/20 0.52
CYP19A1 P11511 1/20 0.52
HPGD P15428 3/20 0.51
CYP3A4 P08684 2/20 0.51
HSD17B10 Q99714 2/20 0.51
USP2 O75604 1/20 0.51
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 3/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL18397897 0.80 PPARG (0.65) PPARGCYP11B1MAOBCYP11B2KDM4E
SCHEMBL12325511 0.80 PPARG (0.65) PPARGCYP11B1MAOBCYP11B2KDM4E
SCHEMBL18397790 0.80 PPARG (0.65) PPARGCYP11B1MAOBCYP11B2KDM4E
SCHEMBL11510798 0.80 PPARG (0.65) PPARGCYP11B1MAOBCYP11B2KDM4E
Hydrochloric Acid SCHEMBL18397798 0.79 LOXL2 (0.64) PPARGCYP11B1MAOBCYP11B2KDM4E
SCHEMBL11508886 0.79 PPARG (0.55) PPARGCYP11B1MAOBCYP11B2KDM4E
SCHEMBL3661749 0.77 PPARG (0.68) PPARGCYP11B1MAOBCYP11B2KDM4E
SCHEMBL3662398 0.76 PPARG (0.67) PPARGCYP11B1MAOBCYP11B2KDM4E
SCHEMBL3659531 0.75 PPARG (0.65) PPARGCYP11B1MAOBCYP11B2KDM4E
SCHEMBL3660458 0.75 PPARG (0.65) PPARGCYP11B1MAOBCYP11B2KDM4E

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-4179447-A ANTIALLERGENS WARNER-LAMBERT COMPANY (US) 1979-12-18 US claimed
US-4179447-A ANTIALLERGENS WARNER-LAMBERT COMPANY (US) 1979-12-18 US disclosed
US-4158663-A FROM 4-METHOXYCOUMARINS USING SODIUM HYDRIDE AND DIMETHYLSULFOXIDE WARNER-LAMBERT COMPANY (US) 1979-06-19 US disclosed