SCHEMBL11019297

SCHEMBL11019297

COc1ccc(Nc2ccc(O)cc2)c(C(C)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 9/20 0.44
AKR1C2 P52895 9/20 0.44
GAA P10253 2/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL12648825 0.78 AKR1C3 (0.49) AKR1C3AKR1C2GAAMAPTMEN1
SCHEMBL10938004 0.76 MEN1 (0.56) AKR1C3AKR1C2TUBB4ATUBBTUBA3C
SCHEMBL12866555 0.76 MAPT (0.48) AKR1C3AKR1C2GAAMAPTMEN1
SCHEMBL9702575 0.75 TUBB4A (0.48) AKR1C3AKR1C2GAATUBB4ATUBB
SCHEMBL11018690 0.74 MAPT (0.46) GAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10930468 0.74 GAA (0.64) AKR1C3AKR1C2GAAMAPTMEN1
SCHEMBL10834390 0.73 MEN1 (0.77) AKR1C3AKR1C2MAPTMEN1KMT2A
SCHEMBL10934839 0.73 MEN1 (0.60) AKR1C3AKR1C2TUBB4ATUBBTUBA3C
SCHEMBL10939818 0.73 MEN1 (0.60) AKR1C3AKR1C2TUBB4ATUBBTUBA3C
SCHEMBL7256133 0.73 MAPT (0.77) GAATUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4496590-A TREATMENT OR PREVENTION OF ALLERGIC ASTHMA, ANTI-ASTHMATIC STERLING DRUG INC. (US) 1985-01-29 US claimed
US-4496590-A TREATMENT OR PREVENTION OF ALLERGIC ASTHMA, ANTI-ASTHMATIC STERLING DRUG INC. (US) 1985-01-29 US disclosed
EP-0122518-A1 Phenylaminobenzenealkanols and preparation STERLING DRUG INC. (US) 1984-10-24 EP disclosed