SCHEMBL27988694

SCHEMBL27988694

CC(CO)c1cccc(-c2cc(C(C)CO)cc(C(C)CO)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
TRPA1 O75762 4/20 0.40
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PTPN5 P54829 3/20 0.36
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
PTGS2 P35354 1/20 0.34
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
CREBBP Q92793 1/20 0.34
CDK8 P49336 1/20 0.34
CFD P00746 1/20 0.34
F11 P03951 1/20 0.34

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
SCHEMBL5247771 0.88 ABCB11 (0.50) ABCB11TRPA1HDAC4HDAC2HDAC8
SCHEMBL27988700 0.85 ABCB11 (0.42) ABCB11TRPA1
SCHEMBL19834371 0.82 ROCK2 (0.39) ABCB11RXRARXRBRXRGTRPA1
SCHEMBL25094316 0.82 HDAC4 (0.47) ABCB11RXRARXRBRXRGTRPA1
SCHEMBL20377395 0.80 ABCB11 (0.44) ABCB11TRPA1PTGS2
SCHEMBL28674297 0.80 ABCB11 (0.44) ABCB11TRPA1HDAC4HDAC2HDAC8
SCHEMBL20738470 0.80 ABCB11 (0.44) ABCB11TRPA1HDAC4HDAC2HDAC8
SCHEMBL6673904 0.78 ABCB11 (0.47) ABCB11TRPA1
SCHEMBL7363946 0.76 ABCB11 (0.44) ABCB11TRPA1HDAC4HDAC2HDAC8
SCHEMBL20738464 0.76 ADRB1 (0.53) ABCB11TRPA1HDAC4HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106133604-B Protectant composition and protectant pattern forming method 三菱瓦斯化学株式会社 2019-09-06 CN disclosed
CN-104281006-B Radiation-ray sensitive composition 三菱瓦斯化学株式会社 2019-01-22 CN disclosed
CN-108008600-A Radiation-ray sensitive composition 三菱瓦斯化学株式会社 2018-05-08 CN disclosed
CN-106133604-A Protectant composition and protectant pattern forming method 三菱瓦斯化学株式会社 2016-11-16 CN disclosed
CN-104281006-A Radiation-sensitive composition MITSUBISHI GAS CHEMICAL CO 2015-01-14 CN disclosed