SCHEMBL7315430

SCHEMBL7315430

O=[C]c1c(Cl)ccc(OCCN2CCOCC2)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
NPC1 O15118 1/20 0.51
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
PDE1A P54750 1/20 0.49
PDE1B Q01064 1/20 0.49
PDE4D Q08499 1/20 0.49
PDE7A Q13946 1/20 0.49
PDE1C Q14123 1/20 0.49
KMO O15229 4/20 0.47
THRB P10828 1/20 0.47
POLB P06746 1/20 0.46
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45
DRD5 P21918 1/20 0.45

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
SCHEMBL7310904 0.88 TSHR (0.55) TSHRALDH1A1KDM4EHTR2CHTR2B
SCHEMBL7310393 0.86 TSHR (0.57) TSHRALDH1A1KDM4EHTR2CHTR2B
SCHEMBL7315444 0.81 TSHR (0.59) TSHRALDH1A1KDM4EMAPTHTT
SCHEMBL7288793 0.80 ALDH1A1 (0.61) TSHRALDH1A1KDM4EMAPTHTT
SCHEMBL7414653 0.79 ALDH1A1 (0.60) TSHRALDH1A1KDM4EMAPTHTT
SCHEMBL7314454 0.78 KDM4E (0.64) TSHRALDH1A1KDM4EMAPTHTT
SCHEMBL7414650 0.78 ALDH1A1 (0.56) TSHRALDH1A1KDM4EMAPTHTT
SCHEMBL12856503 0.77 NPC1 (0.58) TSHRALDH1A1KDM4EMAPTHTT
SCHEMBL7415610 0.77 ELANE (0.56) TSHRALDH1A1KDM4EMAPTHTT
Hydrochloric Acid SCHEMBL7415608 0.76 ELANE (0.55) TSHRALDH1A1KDM4EMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773456-A EMPHYSEMA, RHEUMATOID ARTHRITIS AND PANCREATITIS SANOFI (FR) 1998-06-30 US disclosed
US-5578623-A DRUGS FOR TREATMENT OF ARTHRITIS, PANCREATITIS, CYSTIC FIBROSIS, BRONCHITIS, RESPIRATORY DISORDERS STERLING WINTHROP INC. (US) 1996-11-26 US disclosed
US-5464852-A Used in treatment of degenerative diseases STERLING WINTHROP INC. (US) 1995-11-07 US disclosed
US-5380737-A Enzyme inhibitors STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0542371-A1 Saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP disclosed