SCHEMBL688310

SCHEMBL688310

CCCCCCCCCCCCCCCc1c(C(C)(C)C)cc(C(C)(C)C)c(O)c1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.42
TYR P14679 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CA2 P00918 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
PTGS2 P35354 3/20 0.40
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
TP53 P04637 1/20 0.38
HIF1A Q16665 1/20 0.38
HSPA5 P11021 1/20 0.38
CA1 P00915 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP1A2 P05177 1/20 0.37
NR5A2 O00482 1/20 0.37
NR5A1 Q13285 1/20 0.37

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
SCHEMBL30464707 0.90 ALOX5 (0.42) ALOX5TYRSMN1; SMN2CA2ALDH1A1
SCHEMBL28360773 0.90 ALOX5 (0.42) ALOX5TYRSMN1; SMN2CA2ALDH1A1
SCHEMBL28426211 0.89 ALOX5 (0.44) ALOX5TYRSMN1; SMN2CA2ALDH1A1
SCHEMBL7706320 0.89 ALOX5 (0.44) ALOX5TYRSMN1; SMN2CA2ALDH1A1
SCHEMBL11140066 0.86 ALOX5 (0.50) ALOX5TYRSMN1; SMN2CA2ALDH1A1
SCHEMBL31169458 0.86 HSPA5 (0.40) ALOX5TYRSMN1; SMN2CA2ALDH1A1
SCHEMBL7934245 0.84 SMN1; SMN2 (0.38) ALOX5TYRSMN1; SMN2CA2ALDH1A1
SCHEMBL6065585 0.83 CYP2C19 (0.43) TYRSMN1; SMN2CA2ALDH1A1POLB
SCHEMBL227902 0.83 KAT8 (0.45) NR5A2NR5A1
SCHEMBL226460 0.83 KAT8 (0.45) NR5A2NR5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9234109-B2 Phase change inks XEROX CORPORATION (US) 2016-01-12 US disclosed
US-9234109-B2 Phase change inks XEROX CORPORATION (US) 2016-01-12 US disclosed
US-9234109-B2 Phase change inks XEROX CORPORATION (US) 2016-01-12 US disclosed
EP-2169016-B1 Phase change inks XEROX CORP (US) 2012-02-29 EP disclosed
EP-2169016-B1 Phase change inks XEROX CORP (US) 2012-02-29 EP disclosed
US-20100080922-A1 PHASE CHANGE INKS XEROX CORPORATION (US) 2010-04-01 US disclosed
US-20100080922-A1 PHASE CHANGE INKS XEROX CORPORATION (US) 2010-04-01 US disclosed
EP-2169016-A1 Phase change inks Xerox Corporation (US) 2010-03-31 EP disclosed
EP-2169016-A1 Phase change inks Xerox Corporation (US) 2010-03-31 EP disclosed