SCHEMBL27905641

SCHEMBL27905641

O=C(C(=O)c1ccc(C=Cc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 8/20 0.68
CES1 P23141 7/20 0.68
HDAC1 Q13547 2/20 0.64
MAPT P10636 3/20 0.57
PLIN1 O60240 2/20 0.57
LMNA P02545 2/20 0.57
RECQL P46063 2/20 0.57
PLIN5 Q00G26 2/20 0.57
ABHD5 Q8WTS1 2/20 0.57
MAOB P27338 2/20 0.57
CYP1B1 Q16678 2/20 0.57
BCHE P06276 1/20 0.57
TNFRSF1A P19438 1/20 0.57
ACHE P22303 1/20 0.57
F3 P13726 2/20 0.52
HDAC3 O15379 1/20 0.52
TNKS O95271 1/20 0.52
HDAC4 P56524 1/20 0.52
HCAR2 Q8TDS4 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52

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
SCHEMBL3753532 0.98 HDAC1 (0.67) CES2CES1HDAC1MAPTPLIN1
SCHEMBL3753530 0.98 HDAC1 (0.67) CES2CES1HDAC1MAPTPLIN1
Benzil SCHEMBL27348338 0.95 CES2 (0.70) CES2CES1HDAC1MAPTPLIN1
SCHEMBL6311364 0.89 HDAC1 (0.62) CES2CES1HDAC1MAPTPLIN1
SCHEMBL1405644 0.86 HDAC1 (0.64) HDAC1MAPTPLIN1LMNARECQL
SCHEMBL1405641 0.86 HDAC1 (0.64) HDAC1MAPTPLIN1LMNARECQL
SCHEMBL27888983 0.85 TTR (0.61) CES2CES1HDAC1MAPTPLIN1
Potassium Ion SCHEMBL6318653 0.85 HDAC1 (0.58) CES2CES1HDAC1MAPTPLIN1
SCHEMBL11545296 0.84 HDAC1 (0.67) CES2CES1HDAC1MAPTPLIN1
SCHEMBL15768764 0.84 ALDH1A1 (0.67) CES2CES1HDAC1MAPTPLIN1

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
CN-102906215-B Photochromic material MITSUBISHI GAS CHEMICAL CO 2014-11-05 CN disclosed
CN-102906215-A Photochromic material MITSUBISHI GAS CHEMICAL CO 2013-01-30 CN disclosed