SCHEMBL7066341

SCHEMBL7066341

CCCCOc1ccc(NC=C(C(=O)O)C(=O)OC(C)CC)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
S1PR1 P21453 3/20 0.41
S1PR3 Q99500 3/20 0.41
FAAH O00519 9/20 0.40
DHODH Q02127 1/20 0.40
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
SCHEMBL7072731 0.97 S1PR1 (0.46) KDM4EGAAL3MBTL1S1PR1S1PR3
SCHEMBL62489 0.92 NPC1 (0.46) ALDH1A1MAPTDHODHTSHR
SCHEMBL3852129 0.87 ALDH1A1 (0.45) KDM4EGAAALDH1A1MAPTDHODH
SCHEMBL5046716 0.84 DHODH (0.58) KDM4EGAAALDH1A1MAPTDHODH
SCHEMBL395325 0.84 DHODH (0.46) KDM4EGAAALDH1A1MAPTL3MBTL1
SCHEMBL3883132 0.83 DHODH (0.44) KDM4EALDH1A1MAPTL3MBTL1DHODH
SCHEMBL7066714 0.83 DHODH (0.60) KDM4EGAAALDH1A1MAPTL3MBTL1
SCHEMBL436620 0.83 DHODH (0.44) KDM4EGAAALDH1A1MAPTS1PR1
SCHEMBL846105 0.83 MAPT (0.45) KDM4EGAAALDH1A1MAPTDHODH
SCHEMBL11330329 0.82 KDM4E (0.43) KDM4ETSHR

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
EP-0895776-B1 Cosmetic light-screening composition HOFFMANN LA ROCHE (CH) 2003-06-11 EP disclosed
US-6069170-A 2-(4-ALKOXY-ANILINOMETHYLENE)-PROPANEDIOIC ACID DIESTER USED AS SUNSCREEN AGENT ROCHE VITAMINS INC. (US) 2000-05-30 US disclosed
EP-0895776-A2 Cosmetic light-screening composition F. HOFFMANN-LA ROCHE AG (CH) 1999-02-10 EP disclosed