SCHEMBL7990683

SCHEMBL7990683

COc1ccc(C=C2C(=O)OC(C)C2C)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MAPT P10636 7/20 0.50
LMNA P02545 4/20 0.50
PLIN1 O60240 1/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
PLIN5 Q00G26 1/20 0.50
ABHD5 Q8WTS1 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
ALDH1A1 P00352 6/20 0.48
HPGD P15428 4/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
HDAC3 O15379 1/20 0.48

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
SCHEMBL6060569 0.80 DYRK1A (0.56) KMT2AMAPTLMNAALDH1A1NPC1
SCHEMBL7992784 0.76 ALDH1A1 (0.51) KMT2AMAPTGAAMAPK1TDP1
SCHEMBL10898779 0.74 KMT2A (0.55) KMT2AMAPTLMNAPLIN1GAA
SCHEMBL9197955 0.70 SIRT1 (0.74) KMT2A
SCHEMBL9197946 0.70 KMT2A (1.00) KMT2AMAPTLMNAPLIN1GAA
SCHEMBL31432748 0.69 MAPT (0.59) KMT2AMAPTLMNAPLIN1GAA
SCHEMBL11179302 0.68 NR1I2 (0.64) KMT2AMAPTLMNAPLIN1GAA
SCHEMBL29516593 0.68 KMT2A (0.76) KMT2AMAPTLMNAPLIN1GAA
SCHEMBL28722336 0.68 KMT2A (0.76) KMT2AMAPTLMNAPLIN1GAA
SCHEMBL9246152 0.68 KMT2A (0.72) KMT2AMAPTLMNAPLIN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6258963-B1 DRUGS, COSMETICS HAARMANN & REIMER GMBH (DE) 2001-07-10 US disclosed
EP-1008593-A1 Benzylidene-gamma-butyrolactones, process for their production and use thereof as UV absorbers HAARMANN & REIMER GMBH (DE) 2000-06-14 EP disclosed