SCHEMBL11665341

SCHEMBL11665341

CCOC(=O)C(C)=C=Cc1ccc(CS)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 2/20 0.36
NR1H4 Q96RI1 1/20 0.36
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
IDO1 P14902 1/20 0.34
TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL11659666 0.88 MAPT (0.41) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL708213 0.82 MAPT (0.59) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL11660425 0.82 ALDH1A1 (0.46) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL19328655 0.82 MAPT (0.59) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL28841505 0.82 MEN1 (0.58) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL11658655 0.81 L3MBTL1 (0.45) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL11658496 0.80 IDO1 (0.35) IDO1
SCHEMBL11659784 0.80 MEN1 (0.49) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL11657205 0.73 MAOB (0.45) MAPTLMNACYP1A2ALDH1A1KDM4E
SCHEMBL11660602 0.72 PTGS2 (0.48) MAPTMEN1KMT2ALMNACYP1A2

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-4073936-A Hypolipidemic allene carboxylic esters SANDOZ, INC. (US) 1978-02-14 US claimed
US-4073936-A Hypolipidemic allene carboxylic esters SANDOZ, INC. (US) 1978-02-14 US disclosed
US-4011339-A ANTIINFLAMMATORY AGENTS SANDOZ, INC. (US) 1977-03-08 US disclosed