SCHEMBL9764533

SCHEMBL9764533

CCOC(=O)c1ccc(C#CCOCCCCCCN(Cc2ccccc2)C(CO)c2cc(Cl)c(N)c(Cl)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.35
MMP2 P08253 2/20 0.35
MMP12 P39900 2/20 0.35
CETP P11597 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
BCHE P06276 3/20 0.32
ACHE P22303 3/20 0.32
KDM4E B2RXH2 1/20 0.32
PRMT1 Q99873 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL9764538 0.85 HPGD (0.35) HPGDTP53MMP2MMP12POLB
SCHEMBL9764279 0.75 NR1H3 (0.35) MMP2MMP12BCHEACHEKDM4E
SCHEMBL10466598 0.74 MMP13 (0.34) MEN1KMT2ABCHEACHEKDM4E
SCHEMBL10468372 0.71 NR1H3 (0.33) BCHEACHEKDM4EMAPTMAPK1
SCHEMBL9764569 0.70 SNCA (0.38) HPGDKMT2AACACB
SCHEMBL9764548 0.69 KCNH2 (0.33) BCHEACHEKDM4E
SCHEMBL9764422 0.69 LTA4H (0.37) POLBMEN1KMT2AKDM4EMAPT
SCHEMBL10465464 0.69 MAOB (0.32) BCHEACHE
SCHEMBL10466933 0.67 NR1H3 (0.36) MEN1KMT2ABCHEACHEKDM4E
SCHEMBL10466931 0.67 NR1H3 (0.33) KDM4E

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-5006556-A Dichloroaniline derivatives for the therapy or prophylaxysis of a disease associated with reversible airway obstruction GLAXO GROUP LIMITED (GB) 1991-04-09 US disclosed
US-4943591-A TREATMENT OF ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1990-07-24 US disclosed
EP-0181709-A1 Dichloroaniline Derivatives GLAXO GROUP LIMITED (GB) 1986-05-21 EP disclosed