SCHEMBL28334528

SCHEMBL28334528

C=C(C(=O)O)c1ccc(C2CCC(O)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.52
▸ HAO1 Q9UJM8 1/20 0.43
▸ HDAC8 Q9BY41 3/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC3 O15379 2/20 0.41
▸ HDAC11 Q96DB2 2/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CYP2C9 P11712 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TRPV6 Q9H1D0 1/20 0.36
▸ HSD11B1 P28845 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C1 Q04828 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ DEGS1 O15121 1/20 0.35

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
SCHEMBL1088238 0.86 NPC1 (0.44) ESR2HAO1HDAC8HDAC6HDAC1
SCHEMBL1089207 0.86 HAO1 (0.57) HAO1HDAC8HDAC6HDAC1HDAC3
SCHEMBL1088809 0.85 ESR2 (0.53) ESR2HAO1HDAC8HDAC6HDAC1
SCHEMBL4802628 0.85 HAO1 (0.42) ESR2HAO1HDAC8HDAC6HDAC1
SCHEMBL1088367 0.84 HAO1 (0.59) HAO1HDAC8HDAC6HDAC1HDAC3
SCHEMBL1088758 0.84 HAO1 (0.59) HAO1HDAC8HDAC6HDAC1HDAC3
SCHEMBL4801277 0.82 NPC1 (0.44) ESR2HAO1HDAC8HDAC6HDAC1
SCHEMBL28005910 0.82 ESR2 (0.59) ESR2HAO1HDAC8HDAC6HDAC1
SCHEMBL1088682 0.81 HAO1 (0.42) ESR2HAO1HDAC8HDAC6HDAC1
SCHEMBL28033379 0.80 ESR2 (0.61) ESR2HAO1HDAC8HDAC6HDAC1

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
CN-110475827-A Radiation-curable composition for ink, printing product and its application method KAO CORP 2019-11-19 — — CN disclosed
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