SCHEMBL20169271

SCHEMBL20169271

O=C1Oc2ccccc2C2C1C1C(=O)Oc3ccccc3C12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
ATM Q13315 1/20 0.44
CYP2C9 P11712 3/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL20785351 1.00 MAOA (0.46) MAOAMAOBATMCYP2C9HDAC3
SCHEMBL20785352 1.00 MAOA (0.46) MAOAMAOBATMCYP2C9HDAC3
SCHEMBL20785353 1.00 MAOA (0.46) MAOAMAOBATMCYP2C9HDAC3
SCHEMBL16785724 1.00 MAOA (0.46) MAOAMAOBATMCYP2C9HDAC3
SCHEMBL20785354 1.00 MAOA (0.46) MAOAMAOBATMCYP2C9HDAC3
SCHEMBL20199845 0.85 MAOA (0.42) MAOAMAOBATMCYP2C9HDAC3
SCHEMBL19132176 0.83 ANPEP (0.45) MAOAMAOBATMCYP2C9HDAC3
SCHEMBL13895655 0.79 MAOA (0.37) MAOAMAOBATMCYP2C9HDAC3
SCHEMBL12749154 0.79 MAOA (0.37) MAOAMAOBATMCYP2C9HDAC3
SCHEMBL19154946 0.78 CYP2C9 (0.32) MAOAMAOBATMCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220403329-A1 Polymeric Carriers and Methods MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2022-12-22 US disclosed
US-11078368-B2 Acrylate coating compositions comprising a UV light cleavable cross-linking agent MONASH UNIVERSITY (AU) 2021-08-03 US disclosed
US-20190071574-A1 ACRYLATE COATING COMPOSITIONS COMPRISING A UV LIGHT CLEAVABLE CROSS-LINKING AGENT MONASH UNIVERSITY (AU) 2019-03-07 US disclosed
US-9975996-B2 Positive photosensitive resin composition and polyhydroxyamide resin NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-05-22 US disclosed