SCHEMBL6808003

SCHEMBL6808003

C=Cc1ccc(CCCCN(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.56
KCNH2 Q12809 2/20 0.56
HRH3 Q9Y5N1 2/20 0.44
TAAR1 Q96RJ0 3/20 0.41
ALDH1A1 P00352 1/20 0.41
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40

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
SCHEMBL6811099 0.94 KCNH2 (0.49) SIGMAR1KCNH2HRH3TAAR1ALDH1A1
Hydrochloric Acid SCHEMBL31031294 0.93 KCNH2 (0.47) SIGMAR1KCNH2HRH3TAAR1ALDH1A1
Water SCHEMBL31031305 0.93 KCNH2 (0.47) SIGMAR1KCNH2HRH3TAAR1ALDH1A1
SCHEMBL213342 0.86 HRH3 (0.59) SIGMAR1KCNH2HRH3TAAR1ALDH1A1
Styrene SCHEMBL9615088 0.86 SIGMAR1 (0.74) SIGMAR1KCNH2TAAR1ALDH1A1
Hydrochloric Acid SCHEMBL31234736 0.85 HRH3 (0.57) SIGMAR1KCNH2HRH3TAAR1ALDH1A1
Water SCHEMBL31031309 0.85 HRH3 (0.57) SIGMAR1KCNH2HRH3TAAR1ALDH1A1
SCHEMBL9680585 0.84 SIGMAR1 (0.46) SIGMAR1KCNH2HRH3TAAR1ALDH1A1
SCHEMBL21407986 0.84 HRH3 (0.44) SIGMAR1KCNH2HRH3TAAR1ALDH1A1
SCHEMBL1140696 0.84 ALDH1A1 (0.58) ALDH1A1THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624317-B2 Amphiphilic macromolecular emulsifier with switchable surface activity and use thereof in preparation of polymer latex ZHEJIANG UNIVERSITY (CN) 2017-04-18 US disclosed
US-20140316049-A1 AMPHIPHILIC MACROMOLECULAR EMULSIFIER WITH SWITCHABLE SURFACE ACTIVITY AND USE THEREOF IN PREPARATION OF POLYMER LATEX ZHEJIANG UNIVERSITY (CN) 2014-10-23 US disclosed
EP-0864592-B1 DIENE RUBBER ZEON CORP (JP) 2004-09-22 EP disclosed
US-6211321-B1 CONTAINING A TERTIARY AMINO-CONTAINING VINYL MONOMER AND A HALOGEN CONTAINING VONYL MONOMER NIPPON ZEON CO., LTD. (JP) 2001-04-03 US disclosed