SCHEMBL7721762

SCHEMBL7721762

C[C]C(c1cccc(O)c1C1CCCCC1)c1cccc(O)c1C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CNR1 P21554 6/20 0.32
▸ CNR2 P34972 5/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ PPIA P62937 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ KMO O15229 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ABCB1 P08183 1/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 1/20 0.30

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
SCHEMBL9244494 0.82 HDAC4 (0.42) HDAC4HDAC2HDAC8ALDH1A1ALOX15
SCHEMBL5275279 0.79 HDAC4 (0.38) HDAC4HDAC2HDAC8ALDH1A1ALOX15
SCHEMBL7721763 0.78 FEN1 (0.37) HDAC4HDAC2HDAC8GABRA1GABRB2
SCHEMBL2530090 0.78 HDAC4 (0.39) HDAC4HDAC2HDAC8ALDH1A1ALOX15
SCHEMBL7531576 0.77 HDAC4 (0.50) HDAC4HDAC2HDAC8ALDH1A1ALOX15
SCHEMBL6004412 0.77 HDAC4 (0.50) HDAC4HDAC2HDAC8ALDH1A1ALOX15
SCHEMBL3169205 0.75 HDAC4 (0.52) HDAC4HDAC2HDAC8ALDH1A1ALOX15
SCHEMBL27584477 0.74 HPGD (0.37) HDAC4HDAC2HDAC8KMOKMT2A
Water SCHEMBL27641338 0.73 HDAC4 (0.50) HDAC4HDAC2HDAC8ALDH1A1ALOX15
SCHEMBL7869684 0.73 TRPA1 (0.48) HDAC4HDAC2HDAC8ALDH1A1ALOX15

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-6388044-B1 THERMOSETTING POLYETHER; CROSSLINKING BY HEATING SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-05-14 — — US disclosed
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