Anisole

Anisole

SCHEMBL8538928

COC(=O)CCn1cc(Cc2ccc(F)cc2)c2cc(N=S(=O)=O)ccc21.COc1ccccc1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
TBXAS1 P24557 1/20 0.40
BRD4 O60885 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
PLA2G2A P14555 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
MEN1 O00255 1/20 0.37

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
Anisole SCHEMBL8537548 0.93 TBXAS1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
Trifluoromethylbenzene SCHEMBL8545298 0.90 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
Toluene SCHEMBL8543856 0.84 TBXAS1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8581509 0.76 TBXAS1 (0.61) TBXAS1
SCHEMBL8543940 0.75 TBXAS1 (0.65) TBXAS1MEN1KMT2A
SCHEMBL8538149 0.74 HDAC4 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8539906 0.72 TBXAS1 (0.65) TBXAS1
SCHEMBL8539406 0.71 TBXAS1 (0.70) TBXAS1
SCHEMBL8539323 0.69 TBXAS1 (0.61) TBXAS1
SCHEMBL8637450 0.68 TBXAS1 (0.59) TBXAS1MEN1KMT2A

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
EP-0715627-B1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LTD (GB) 1998-09-09 EP claimed