SCHEMBL5174499

SCHEMBL5174499

N#Cc1ccccc1CCCCCCCCCCCCOCCCCCCCCCCCCc1ccccc1C#N

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.39
CYP19A1 P11511 1/20 0.38
FFAR1 O14842 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
PLAU P00749 1/20 0.34
TACR1 P25103 1/20 0.34

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
SCHEMBL7566554 1.00 NAAA (0.39) NAAACYP19A1FFAR1SMN1; SMN2ALDH1A1
SCHEMBL28248440 0.87 CYP19A1 (0.46) CYP19A1FFAR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL28248935 0.82 CYP19A1 (0.46) CYP19A1FFAR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL447523 0.80 HRH4 (0.44) NAAAFFAR1KDM4ETSHR
SCHEMBL6952873 0.80 NAAA (0.46) NAAAFFAR1MAPTKDM4ETSHR
SCHEMBL6961355 0.80 NAAA (0.46) NAAAFFAR1MAPTKDM4ETSHR
SCHEMBL6680392 0.80 LIPG (0.53) TSHR
SCHEMBL6685317 0.80 LIPG (0.53) TSHR
SCHEMBL3629719 0.80 LIPG (0.53) TSHR
SCHEMBL7396264 0.80 CYP19A1 (0.39) CYP19A1FFAR1SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1130382-B1 Optical sensor for sensing multiple analytes AGILENT TECHNOLOGIES INC (US) 2007-05-09 EP disclosed
EP-0973033-B1 Ion sensor HOFFMANN LA ROCHE (CH) 2002-08-28 EP disclosed
US-6379969-B1 AN APPARATUS AND AN ACCURATE METHOD FOR ANALYZING MULTIPLE SAMPLES IN A SINGLE SOURCE DETECTOR; A LIGHT SOURCE SHINES ON A SENSOR AND DETECTORS DETERMINE THE LIGHT INTERACTION AGILENT TECHNOLOGIES, INC. 2002-04-30 US disclosed
EP-1130382-A1 Optical sensor for sensing multiple analytes Agilent Technologies Inc. a Delaware Corporation (US) 2001-09-05 EP disclosed
EP-0973033-A1 Ion sensor AVL Medical Instruments (CH) 2000-01-19 EP disclosed