SCHEMBL6415850

SCHEMBL6415850

O=C(O)c1ccc(C=CC=CC=Cc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.58
MAPK1 P28482 2/20 0.58
NPC1 O15118 1/20 0.58
GAA P10253 1/20 0.58
RAB9A P51151 1/20 0.58
HDAC1 Q13547 3/20 0.55
ALDH1A1 P00352 2/20 0.54
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
TSHR P16473 2/20 0.52
DAO P14920 1/20 0.52
NAPRT Q6XQN6 1/20 0.52

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
SCHEMBL11472195 0.98 MAOB (0.61) MAOBMAPK1NPC1GAARAB9A
SCHEMBL11472831 0.98 MAOB (0.61) MAOBMAPK1NPC1GAARAB9A
SCHEMBL4969803 0.91 ALDH1A1 (0.62) MAOBMAPK1NPC1GAARAB9A
SCHEMBL4969807 0.91 ALDH1A1 (0.62) MAOBMAPK1NPC1GAARAB9A
SCHEMBL1927732 0.89 HDAC1 (0.67) MAOBMAPK1NPC1GAARAB9A
SCHEMBL1927729 0.89 HDAC1 (0.67) MAOBMAPK1NPC1GAARAB9A
SCHEMBL8437189 0.89 HDAC1 (0.67) MAOBMAPK1NPC1GAARAB9A
SCHEMBL11545296 0.89 HDAC1 (0.67) MAOBMAPK1NPC1GAARAB9A
Hydrochloric Acid SCHEMBL4353116 0.87 HDAC1 (0.64) MAOBMAPK1NPC1GAARAB9A
SCHEMBL11470657 0.85 CYP1B1 (0.61) MAOBMAPK1NPC1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050274055-A1 Color-changing fishing equipment PURE FISHING, INC. 2005-12-15 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
EP-0590145-B1 FIBER OPTIC SENSOR AND METHODS FOR DETECTING AN ORGANIC ANALYTE IN A FLUID OR VAPOR SAMPLE TUFTS COLLEGE (US) 1998-09-02 EP disclosed
US-5512490-A SUPPORT, ARRAY OF HETEROGENEOUS SEMISELECTIVE THIN FILMS WHICH FUNCTION AS SENSING RECEPTOR UNITS TRUSTEES OF TUFTS COLLEGE (US) 1996-04-30 US disclosed
US-5244813-A Fiber optic sensor, apparatus, and methods for detecting an organic analyte in a fluid or vapor sample TRUSTEES OF TUFTS COLLEGE (US) 1993-09-14 US disclosed