Anisole

Anisole

SCHEMBL27678291

COc1ccccc1.Nc1ccc(C=Cc2ccccc2)c(N)c1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 7/20 0.56
▸ CYP1A1 P04798 3/20 0.55
▸ CYP1A2 P05177 3/20 0.55
▸ CYP1B1 Q16678 3/20 0.55
▸ TRPA1 O75762 2/20 0.54
▸ TUBB4A P04350 2/20 0.50
▸ TUBB P07437 2/20 0.50
▸ TUBA3C P0DPH7 2/20 0.50
▸ TUBA1B P68363 2/20 0.50
▸ TUBA4A P68366 2/20 0.50
▸ TUBB4B P68371 2/20 0.50
▸ TUBB3 Q13509 2/20 0.50
▸ TUBB2A Q13885 2/20 0.50
▸ TUBB8 Q3ZCM7 2/20 0.50
▸ TUBA3E Q6PEY2 2/20 0.50
▸ TUBA1A Q71U36 2/20 0.50
▸ TUBA1C Q9BQE3 2/20 0.50
▸ TUBB6 Q9BUF5 2/20 0.50
▸ TUBB2B Q9BVA1 2/20 0.50
▸ TUBB1 Q9H4B7 2/20 0.50

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
Benzene SCHEMBL28086974 0.87 CYP19A1 (0.59) CYP19A1CYP1A1CYP1A2CYP1B1TRPA1
SCHEMBL11510146 0.87 CYP19A1 (0.59) CYP19A1CYP1A1CYP1A2CYP1B1TRPA1
SCHEMBL11510148 0.87 CYP19A1 (0.59) CYP19A1CYP1A1CYP1A2CYP1B1TRPA1
Hydrochloric Acid SCHEMBL27479949 0.85 CYP19A1 (0.57) CYP19A1CYP1A1CYP1A2CYP1B1TRPA1
Phenetole SCHEMBL27391241 0.84 RELA (0.58) CYP19A1CYP1A1CYP1A2CYP1B1RELA
Toluene SCHEMBL27930864 0.83 CYP19A1 (0.50) CYP19A1CYP1A1CYP1A2CYP1B1TRPA1
SCHEMBL27500626 0.83 CYP19A1 (0.42) CYP19A1CYP1A1CYP1A2CYP1B1RELA
Phenoxyethanol SCHEMBL27396634 0.79 ALDH1A1 (0.50) CYP19A1CYP1A2RELAKDM4EMEN1
SCHEMBL227435 0.79 TUBB4A (0.69) CYP19A1CYP1A1CYP1A2CYP1B1TRPA1
SCHEMBL227434 0.79 TUBB4A (0.69) CYP19A1CYP1A1CYP1A2CYP1B1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101891967-B Method for the reactive colouring of leather BASF SE 2013-02-27 — — CN disclosed
CN-101891967-A The reactive staining method of leather BASF AG 2010-11-24 — — CN disclosed
CN-1875144-B Reactive colouring of leather BASF AG 2010-05-26 — — CN disclosed
CN-1875144-A Reactive colouring of leather BASF AG (DE) 2006-12-06 — — CN disclosed
Send feedback