SCHEMBL10499564

SCHEMBL10499564

Cc1cc(NC(=O)CCCCCBr)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 8/20 0.57
▸ HDAC1 Q13547 8/20 0.57
▸ HDAC2 Q92769 8/20 0.57
▸ HDAC10 Q969S8 8/20 0.57
▸ HDAC11 Q96DB2 8/20 0.57
▸ HDAC8 Q9BY41 8/20 0.57
▸ HDAC6 Q9UBN7 8/20 0.57
▸ HDAC4 P56524 6/20 0.57
▸ HDAC7 Q8WUI4 6/20 0.57
▸ HDAC9 Q9UKV0 6/20 0.57
▸ HDAC5 Q9UQL6 6/20 0.57
▸ ALDH1A1 P00352 3/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ NCOR2 Q9Y618 2/20 0.49
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ POLB P06746 1/20 0.47

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
SCHEMBL8756319 0.87 ALDH1A1 (0.69) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL7108913 0.82 GAA (0.62) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL10499445 0.81 KMT2A (0.52) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL17620596 0.80 ALDH1A1 (0.77) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL8551297 0.80 HDAC3 (0.73) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL850500 0.79 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL10499076 0.79 GAA (0.60) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL10499360 0.79 GAA (0.60) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL10498915 0.79 GAA (0.60) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL15883219 0.79 HDAC3 (0.73) HDAC3HDAC1HDAC2HDAC10HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4835180-A N-(ω-cyanoalkyl)aminophenols and use as inhibitors of lipoxygenase activity STERLING DRUG INC. (US) 1989-05-30 — — US disclosed
EP-0262618-A2 N-(omega)-cyanoalkyl)aminophenols, and their preparation STERLING DRUG INC. (US) 1988-04-06 — — EP disclosed
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