SCHEMBL19155277

SCHEMBL19155277

C=C(C)c1ccc(CCn2c3ccccc3c(=O)c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 7/20 0.55
▸ P2RX4 Q99571 4/20 0.52
▸ ALDH1A1 P00352 1/20 0.49
▸ GLA P06280 1/20 0.45
▸ PTGS2 P35354 2/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ HDAC1 Q13547 6/20 0.44
▸ HDAC11 Q96DB2 5/20 0.44
▸ HDAC8 Q9BY41 5/20 0.44
▸ MELK Q14680 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42

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
SCHEMBL12938933 0.79 HDAC6 (0.68) HDAC6ALDH1A1HDAC1HDAC11HDAC8
SCHEMBL19091684 0.77 LMNA (0.49) HDAC6P2RX4ALDH1A1GLAPTGS2
SCHEMBL20746621 0.74 PTGS2 (0.53) HDAC6P2RX4ALDH1A1GLAPTGS2
SCHEMBL19154591 0.74 CASP3 (0.56) ALDH1A1MAPTSMN1; SMN2
SCHEMBL17150144 0.73 P2RX4 (0.57) HDAC6P2RX4ALDH1A1HRH1BCHE
SCHEMBL20961472 0.73 HDAC6 (0.68) HDAC6ALDH1A1HDAC1HDAC11HDAC8
SCHEMBL1003052 0.72 HDAC6 (0.68) HDAC6HDAC1HDAC11HDAC8SMN1; SMN2
SCHEMBL12938854 0.72 HDAC6 (0.76) HDAC6ALDH1A1HDAC1HDAC11HDAC8
SCHEMBL31124810 0.71 ALDH1A1 (0.60) HDAC6P2RX4ALDH1A1GLASLC6A4
SCHEMBL13386557 0.71 ALDH1A1 (0.71) P2RX4ALDH1A1GLASLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714356-B2 Black ink composition, ink set, and image forming method FUJIFILM CORPORATION (JP) 2017-07-25 — — US disclosed
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