SCHEMBL10934839

SCHEMBL10934839

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
LMNA P02545 2/20 0.60
KMT2A Q03164 2/20 0.60
MAPT P10636 2/20 0.60
POLB P06746 1/20 0.60
AKR1C3 P42330 12/20 0.59
AKR1C2 P52895 12/20 0.59
HPGD P15428 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPK1 P28482 1/20 0.55
GFER P55789 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
AR P10275 1/20 0.48
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 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
SCHEMBL10834390 0.88 MEN1 (0.77) MEN1LMNAKMT2AMAPTPOLB
SCHEMBL848495 0.87 AKR1C3 (0.67) MEN1LMNAKMT2AMAPTPOLB
SCHEMBL10939818 0.85 MEN1 (0.60) MEN1LMNAKMT2AMAPTPOLB
SCHEMBL10938004 0.85 MEN1 (0.56) MEN1LMNAKMT2AMAPTPOLB
SCHEMBL10834208 0.82 MEN1 (0.54) MEN1LMNAKMT2AMAPTPOLB
SCHEMBL10937794 0.82 SIRT2 (0.61) MEN1LMNAKMT2AMAPTPOLB
SCHEMBL9593627 0.80 MEN1 (0.83) MEN1LMNAKMT2AMAPTPOLB
SCHEMBL1026559 0.80 ALDH1A1 (0.59) MEN1LMNAKMT2AMAPTHPGD
SCHEMBL10986815 0.79 SMN1; SMN2 (0.54) MEN1LMNAKMT2AMAPTPOLB
SCHEMBL10934153 0.79 AKR1C3 (0.57) MEN1LMNAKMT2AMAPTPOLB

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
US-4539429-A LIPOXYGENASE INHIBITORS, ANTIASTHMA STERLING DRUG INC. (US) 1985-09-03 US claimed
US-4539429-A LIPOXYGENASE INHIBITORS, ANTIASTHMA STERLING DRUG INC. (US) 1985-09-03 US disclosed
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