SCHEMBL9493566

SCHEMBL9493566

CCCCC(CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)OC)cc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.51
NR1H4 Q96RI1 2/20 0.51
LMNA P02545 2/20 0.47
HDAC8 Q9BY41 3/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL10374177 0.97 EPHX2 (0.50) EPHX2NR1H4LMNAHDAC8HDAC11
SCHEMBL10561346 0.87 EPHX2 (0.57) EPHX2NR1H4LMNAHDAC6HDAC3
SCHEMBL9806765 0.83 KCNQ3 (0.60) EPHX2NR1H4LMNAHDAC8HDAC11
SCHEMBL9479015 0.82 EPHX2 (0.51) EPHX2NR1H4LMNAHDAC8HDAC11
SCHEMBL8998273 0.81 EPHX2 (0.66) EPHX2NR1H4LMNAALDH1A1SMN1; SMN2
SCHEMBL9479588 0.79 LMNA (0.41) EPHX2NR1H4LMNAALDH1A1SMN1; SMN2
SCHEMBL9491290 0.78 EPHX2 (0.55) EPHX2NR1H4LMNAHDAC8HDAC11
SCHEMBL19083763 0.78 EPHX2 (0.57) EPHX2NR1H4LMNAHDAC8HDAC11
SCHEMBL9479068 0.77 CNR1 (0.41) EPHX2NR1H4LMNAHDAC8HDAC11
SCHEMBL9479575 0.77 EPHX2 (0.49) EPHX2NR1H4LMNAHDAC6HDAC3

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 2 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