SCHEMBL9493585

SCHEMBL9493585

CCC(C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)OC)cc3OC)c2c1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.57
NR1H4 Q96RI1 1/20 0.57
MEN1 O00255 2/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
HDAC1 Q13547 6/20 0.44
ALDH1A1 P00352 4/20 0.44
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 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
SCHEMBL8951313 0.85 MEN1 (0.51) MEN1LMNAMAPTKMT2AHDAC1
SCHEMBL9479319 0.85 CYSLTR2 (0.52) MEN1LMNAMAPTKMT2AHDAC1
SCHEMBL10561346 0.83 EPHX2 (0.57) EPHX2NR1H4MEN1LMNAMAPT
SCHEMBL9479618 0.79 EPHX2 (0.58) EPHX2NR1H4LMNAHDAC1ALDH1A1
SCHEMBL9477836 0.79 CYSLTR2 (0.53) EPHX2NR1H4MEN1LMNAMAPT
SCHEMBL8951240 0.79 MEN1 (0.52) EPHX2NR1H4MEN1LMNAMAPT
SCHEMBL9479611 0.78 EPHX2 (0.57) EPHX2NR1H4MEN1LMNAMAPT
SCHEMBL8998273 0.78 EPHX2 (0.66) EPHX2NR1H4MEN1LMNAMAPT
SCHEMBL8998135 0.77 EPHX2 (0.51) EPHX2NR1H4MEN1LMNAMAPT
SCHEMBL9479108 0.77 EPHX2 (0.58) EPHX2NR1H4LMNAKMT2AALDH1A1

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-5234942-A Treating allergic pulmonary disorders, asthma ICI AMERICAS INC. (US) 1993-08-10 US disclosed
US-4997844-A Compounds for the treatment of allergic or inflammatory diseases or shock conditions ICI AMERICAS INC. (US) 1991-03-05 US disclosed
EP-0179619-B1 HETEROCYCLIC AMIDES ICI AMERICAS INC. (US) 1990-09-05 EP disclosed
EP-0179619-A1 Heterocyclic amides ICI AMERICAS INC. (US) 1986-04-30 EP disclosed