SCHEMBL873387

SCHEMBL873387

CCCCCCCCCCCCCC(N)Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.71
EPHX1 P07099 1/20 0.57
SIGMAR1 Q99720 5/20 0.56
ANPEP P15144 1/20 0.50
SLC6A2 P23975 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
EPHX2 P34913 1/20 0.46
PKM P14618 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL10399079 1.00 CSNK1E (0.71) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
SCHEMBL8161936 1.00 CSNK1E (0.71) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
SCHEMBL8420654 1.00 CSNK1E (0.71) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
SCHEMBL11455433 1.00 CSNK1E (0.71) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
SCHEMBL1829488 1.00 CSNK1E (0.71) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
SCHEMBL4878177 1.00 CSNK1E (0.71) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
Water SCHEMBL6256326 0.98 CSNK1E (0.69) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
Hydrochloric Acid SCHEMBL10939849 0.98 CSNK1E (0.69) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
Bromide SCHEMBL14128593 0.98 CSNK1E (0.69) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
Hydrochloric Acid SCHEMBL1072928 0.98 CSNK1E (0.69) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514506-A High fluorine content gypsum water-resistant thistle board 中建材创新科技研究院有限公司 2023-08-01 CN claimed
CN-116514506-A High fluorine content gypsum water-resistant thistle board 中建材创新科技研究院有限公司 2023-08-01 CN disclosed
EP-3624596-A1 METHOD FOR MODULATING THE FLAVOR PROFILE OF A FOOD International Flavors & Fragrances Inc. (US) 2020-03-25 EP disclosed
US-20200068928-A1 METHOD FOR MODULATING THE FLAVOR PROFILE OF A FOOD INTERNATIONAL FLAVORS & FRAGRANCES INC. 2020-03-05 US disclosed
WO-2018213154-A1 METHOD FOR MODULATING THE FLAVOR PROFILE OF A FOOD INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2018-11-22 WO disclosed
US-8371377-B2 Method for pre-treatment of subterranean sites adjacent to water injection wells E.I. DU PONT DE NEMOURS AND COMPANY (US) 2013-02-12 US disclosed
US-20120006540-A1 METHOD FOR PRE-TREATMENT OF SUBTERRANEAN SITES ADJACENT TO WATER INJECTION WELLS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-12 US disclosed
WO-2012006489-A2 A METHOD FOR TREATMENT OF SUBTERRANEAN SITES ADJACENT TO WATER INJECTION WELLS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-12 WO disclosed
WO-2012006486-A2 A METHOD FOR TREATMENT OF SUBTERRANEAN SITES ADJACENT TO WATER INJECTION WELLS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-12 WO disclosed