SCHEMBL8107481

SCHEMBL8107481

NC(CO)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
SCN4A P35499 2/20 0.41
EPHX1 P07099 1/20 0.39
LTA4H P09960 3/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
LMNA P02545 1/20 0.38
SCN9A Q15858 1/20 0.37
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
ANPEP P15144 2/20 0.37
LAP3 P28838 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL5674229 0.83 ALDH1A1 (0.43) ALDH1A1RECQLSCN4AEPHX1LTA4H
Hydrochloric Acid SCHEMBL9794538 0.78 TDP1 (0.41) ALDH1A1TSHR
SCHEMBL1033247 0.77 SLC6A4 (0.43) ALDH1A1SCN4AEPHX1LTA4HMTNR1A
SCHEMBL8078604 0.77 SCN4A (0.41) SCN4AEPHX1LTA4HMTNR1AMTNR1B
SCHEMBL4170593 0.77 KMT2A (0.45) LTA4HMTNR1AMTNR1BPPARGPPARA
SCHEMBL7987487 0.76 ALDH1A1 (0.44) ALDH1A1RECQLLTA4HMTNR1AMTNR1B
SCHEMBL675062 0.76 ALDH1A1 (0.44) ALDH1A1RECQLLTA4HMTNR1AMTNR1B
SCHEMBL1847856 0.76 ALDH1A1 (0.44) ALDH1A1RECQLLTA4HMTNR1AMTNR1B
SCHEMBL28085523 0.76 HRH1 (0.46) ALDH1A1SCN4AEPHX1LTA4HTAAR1
SCHEMBL1569929 0.76 EPHX1 (0.60) EPHX1PPARGPPARAANPEPLAP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1044185-A2 NEW DERIVATIVES OF P-AMINOPHENOL AND THEIR USE Henkel Kommanditgesellschaft auf Aktien (DE) 2000-10-18 EP claimed
WO-1999031054-A2 NOVEL P-AMINOPHENOL DERIVATIVES AND THE USE THEREOF HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-06-24 WO claimed
WO-1998003485-A1 PHENOXYPROPANOLAMINES HAVING β3-ADRENERGIC ANTAGONIST ACTIVITY SANOFI (FR) 1998-01-29 WO claimed
CN-108670903-A A kind of draft Haircare composition of the root extract containing the fleece-flower root 广州植境生物科技有限公司 2018-10-19 CN disclosed
CN-105732417-B A kind of preparation method of the initiator monomer containing azobenzene structure 常州大学 2017-08-01 CN disclosed
EP-0159291-A1 Ink composition for the ink-jet printing process CIBA-GEIGY AG (CH) 1985-10-23 EP disclosed
US-4391980-A FOR INVERSION OF CONFIGURATION OF OPTICALLY ACTIVE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1983-07-05 US disclosed
US-4294966-A SALT FORMATION CIBA-GEIGY CORPORATION (US) 1981-10-13 US disclosed