SCHEMBL11657205

SCHEMBL11657205

CCOC(=O)C(C)=C=Cc1ccc2cc(OC)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.45
CYP19A1 P11511 1/20 0.45
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 6/20 0.42
HPGD P15428 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAOA P21397 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL11658655 0.88 L3MBTL1 (0.45) MAOBALDH1A1KDM4EHPGDLMNA
SCHEMBL11655530 0.82 KDM4E (0.47) MAOBALDH1A1KDM4EHPGDNPC1
SCHEMBL13781587 0.80 ALDH1A1 (0.45) MAOBCYP19A1ALDH1A1KDM4EHPGD
SCHEMBL7155893 0.76 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL7155894 0.76 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL11662643 0.75 KDM4E (0.50) MAOBALDH1A1KDM4EHPGDNPC1
SCHEMBL19328655 0.75 MAPT (0.59) MAOBALDH1A1KDM4EHPGDLMNA
SCHEMBL11660425 0.75 ALDH1A1 (0.46) MAOBCYP19A1ALDH1A1KDM4EHPGD
SCHEMBL708213 0.75 MAPT (0.59) MAOBALDH1A1KDM4ELMNAGAA
SCHEMBL28841505 0.75 MEN1 (0.58) ALDH1A1KDM4EHPGDRAB9ALMNA

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