SCHEMBL8368266

SCHEMBL8368266

[O-][N+]1(c2ccccc2)CCCCO1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 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
SCHEMBL11224081 0.70 LMNA (0.33)
SCHEMBL76560 0.69 LMNA (0.32)
SCHEMBL9051047 0.67 CYP1A2 (0.44) CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL7459719 0.67 PABPC1 (0.32)
SCHEMBL8699045 0.66 NAMPT (0.32) CYP1A2
SCHEMBL1828313 0.66 LMNA (0.33)
SCHEMBL4899672 0.64 LMNA (0.39) CYP1A2CYP2C9
SCHEMBL1616696 0.62 PABPC1 (0.38) CYP1A2CYP2C9
SCHEMBL1618360 0.62 PABPC1 (0.38) CYP1A2CYP2C9
SCHEMBL8811113 0.61 PABPC1 (0.31)

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
EP-0712841-B1 Process for the preparation of 3(N-aryl-amino)-propyl-2'-sulfatoethylsulfonyl compounds DYSTAR TEXTILFARBEN GMBH & CO (DE) 1999-01-13 EP disclosed
US-5777111-A DERIVATIVES OF ARYL SUBSTITUTED 1,3-OXAZINES HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-07 US disclosed
US-5672738-A REACTING AN AROMATIC SUBSTITUTED CYCLIC CARBAMATE WITH 2-MERCAPTETHANOL IN PRESENCE OF A BASIC CATALYST HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-30 US disclosed
EP-0712841-A1 Process for the preparation of 3(N-aryl-amino)-propyl-2'-sulfatoethylsulfonyl compounds HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-22 EP disclosed