SCHEMBL1642927

SCHEMBL1642927

C=C(CCC[N+](C)(C)C)C(=O)Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.52
▸ BBOX1 O75936 5/20 0.40
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ APEX1 P27695 3/20 0.36
▸ NFKB1 P19838 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PMP22 Q01453 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ENPP2 Q13822 3/20 0.36
▸ ADRA2A P08913 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ APOBEC3A P31941 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7791560 0.86 ACHE (0.39) ACHEBBOX1MEN1KMT2ANFKB1
Hydrochloric Acid SCHEMBL324011 0.78 ACHE (0.52) ACHEBBOX1MEN1KMT2AAPEX1
SCHEMBL170245 0.78 ACHE (0.52) ACHEBBOX1MEN1KMT2AAPEX1
Hydrochloric Acid SCHEMBL2936558 0.78 ACHE (0.52) ACHEBBOX1MEN1KMT2AAPEX1
SCHEMBL1568811 0.78 ACHE (0.52) ACHEBBOX1MEN1KMT2AAPEX1
Hydrochloric Acid SCHEMBL718779 0.77 ACHE (0.50) ACHEBBOX1MEN1KMT2AAPEX1
Hydrochloric Acid SCHEMBL8448319 0.77 ACHE (0.50) ACHEBBOX1MEN1KMT2AAPEX1
SCHEMBL7762648 0.75 — —
Hydrochloric Acid SCHEMBL6751685 0.74 ACHE (0.47) ACHEBBOX1MEN1KMT2AAPEX1
Methacrylic Acid SCHEMBL6561454 0.74 ACHE (0.52) ACHEBBOX1APEX1ENPP2APOBEC3A

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-6162466-A Sustained release formulation of carbamazepine TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2000-12-19 — — US claimed
EP-2440210-A2 METHODS FOR TREATING GASTROINTESTINAL DISORDERS Meritage Pharma, Inc. (US) 2012-04-18 — — EP disclosed
US-20110097401-A1 METHODS FOR TREATING GASTROINTESTINAL DISORDERS MERITAGE PHARMA, INC. (US) 2011-04-28 — — US disclosed
WO-2010144865-A2 METHODS FOR TREATING GASTROINTESTINAL DISORDERS MERITAGE PHARMA, INC. (US) 2010-12-16 — — WO disclosed
US-20100129777-A1 KIT FOR FIXING A DENTAL RESTORATION MATERIAL ON A TOOTH SUBSTANCE ERNST MÜHLBAUER GMBH & CO. KG (DE) 2010-05-27 — — US disclosed
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