SCHEMBL6925992

SCHEMBL6925992

c1ccc2cc(CCCCCCCCCCCCSCCCCCCCCCCCCc3ccc4ccccc4c3)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2A6 P11509 1/20 0.47
MC4R P32245 2/20 0.46
MC5R P33032 2/20 0.46
HRH3 Q9Y5N1 1/20 0.45
NAAA Q02083 1/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
MC3R P41968 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43

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
SCHEMBL10866501 0.92 SIGMAR1 (0.58) SIGMAR1HDAC1HDAC8CYP1A2CYP2A6
SCHEMBL30418043 0.88 SIGMAR1 (0.66) SIGMAR1HDAC1HDAC8CYP1A2CYP2A6
SCHEMBL30418669 0.86 SIGMAR1 (0.68) SIGMAR1HDAC1HDAC8CYP1A2CYP2A6
SCHEMBL17107153 0.85 BCHE (0.49) SIGMAR1CYP1A2CYP2A6MC4RMC5R
SCHEMBL30746339 0.82 SIGMAR1 (0.68) SIGMAR1HDAC1HDAC8CYP1A2CYP2A6
SCHEMBL5221573 0.81 SIGMAR1 (0.54) SIGMAR1HDAC1HDAC8CYP1A2CYP2A6
SCHEMBL1127649 0.81 CYP1A2 (0.54) SIGMAR1HDAC1HDAC8CYP1A2NAAA
SCHEMBL3941594 0.80 CYP1A2 (0.65) SIGMAR1HDAC1HDAC8CYP1A2CYP2A6
SCHEMBL1610472 0.79 SIGMAR1 (0.56) SIGMAR1HDAC1HDAC8CYP1A2CYP2A6
SCHEMBL11515396 0.79 SIGMAR1 (0.61) SIGMAR1HDAC1HDAC8CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846681-B1 NOVEL SULFONIUM SALT COMPOUNDS, POLYMERIZATION INITIATOR, CURABLE COMPOSITION, AND CURING METHOD NIPPON SODA CO (JP) 2003-12-03 EP disclosed
US-6093753-A CURABLE COMPOSITION COMPRISING A CATIONIC POLYMERIZABLE COMPOUND WHICH IS AN ALICYCLIC EPOXY COMPOUND OR A VINYL ETHER COMPOUND AND A CATIONIC POLYMERIZATION INITIATOR; PAINTS, ADHESIVES, INKS, PHOTORESISTS NIPPON SODA CO., LTD. (JP) 2000-07-25 US disclosed
EP-0846681-A1 NOVEL SULFONIUM SALT COMPOUNDS, POLYMERIZATION INITIATOR, CURABLE COMPOSITION, AND CURING METHOD NIPPON SODA CO., LTD. (JP) 1998-06-10 EP disclosed