SCHEMBL7299529

SCHEMBL7299529

CC(Cl)Cl.CC(Cl)Cl.CC(Cl)Cl.CC(Cl)Cl.CC(Cl)Cl.CCCCCCC(Cl)(Cl)C(CCCCCC)(CCCCCC)CCCCCC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 0.35
SMPD1 P17405 2/20 0.35
TSHR P16473 2/20 0.35
THRB P10828 1/20 0.35
GGPS1 O95749 6/20 0.33
ALDH1A1 P00352 1/20 0.33
CES2 O00748 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 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
SCHEMBL9490928 0.77 TSHR (0.38) FDPSSMPD1TSHRTHRBGGPS1
Heptane SCHEMBL11155553 0.75 TSHR (0.61) TSHRTHRBALDH1A1
SCHEMBL28424130 0.74 FDPS (0.46) FDPSSMPD1TSHRTHRBGGPS1
SCHEMBL28493935 0.74 FDPS (0.46) FDPSSMPD1TSHRTHRBGGPS1
SCHEMBL2908396 0.74 FDPS (0.46) FDPSSMPD1TSHRTHRBGGPS1
SCHEMBL4457163 0.72 TSHR (0.57) FDPSSMPD1TSHRTHRBGGPS1
Hexane SCHEMBL2911057 0.72 TSHR (0.54) TSHRTHRBALDH1A1
Chloroform SCHEMBL19469979 0.72 TSHR (0.42) FDPSSMPD1TSHRTHRBGGPS1
Chloroform SCHEMBL459208 0.72 TSHR (0.42) FDPSSMPD1TSHRTHRBGGPS1
Chloroform SCHEMBL14672707 0.72 TSHR (0.42) FDPSSMPD1TSHRTHRBGGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0302792-B1 Alkylaminoalkoxyphenyl derivatives, process of preparation and compositions containing the same SANOFI SA (FR) 1994-10-26 EP disclosed
US-5215988-A Treating angina, hypertension, arrhythmia, cerebral vascular insufficiency SANOFI (FR) 1993-06-01 US disclosed
US-5147878-A Hypotensive, antiarrhythmia agents SANOFI (FR) 1992-09-15 US disclosed
US-5017579-A Use of aminoalkoxyphenyl derivatives for reducing and/or controlling excessive intraocular pressure SANOFI (FR) 1991-05-21 US disclosed
US-4994474-A Hypotensive agents SANOFI (FR) 1991-02-19 US disclosed
EP-0302792-A2 Alkylaminoalkoxyphenyl derivatives, process of preparation and compositions containing the same SANOFI (FR) 1989-02-08 EP disclosed