SCHEMBL4391317

SCHEMBL4391317

CCCCCC(CCC(C)C(=O)O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.44
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
NR5A2 O00482 1/20 0.37
NR5A1 Q13285 1/20 0.37
GLRA3 O75311 1/20 0.36
GLRB P48167 1/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
XBP1 P17861 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
VCAM1 P19320 2/20 0.35
F2R P25116 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1A O00555 1/20 0.34
CACNA2D1 P54289 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
SCHEMBL4398041 0.99 ACE2 (0.47) ACE2LMNARECQLNR5A2NR5A1
SCHEMBL4384128 0.99 ACE2 (0.47) ACE2LMNARECQLNR5A2NR5A1
SCHEMBL4395905 0.92 ACE2 (0.41) ACE2LMNAALOX15FFAR1
SCHEMBL4395891 0.92 ACE2 (0.41) ACE2LMNAALOX15FFAR1
SCHEMBL11139415 0.90 ACE2 (0.42) ACE2LMNARECQLNR5A2NR5A1
SCHEMBL4391320 0.85 VCAM1 (0.47) KMT2AVCAM1GPR84ALOX15FFAR1
SCHEMBL4398044 0.84 VCAM1 (0.49) KMT2AVCAM1GPR84ALOX15FFAR1
SCHEMBL27383361 0.84 VCAM1 (0.49) KMT2AVCAM1GPR84ALOX15FFAR1
SCHEMBL28432363 0.84 VCAM1 (0.45) LMNARECQLGLRA3GLRBGAA
SCHEMBL4384130 0.84 VCAM1 (0.49) KMT2AVCAM1GPR84ALOX15FFAR1

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
WO-2023008359-A1 MAGNETORHEOLOGICAL FLUID AND MAGNETORHEOLOGICAL FLUID DEVICE 富士フイルム株式会社 2023-02-02 WO disclosed
EP-1862506-B1 ANTISTATIC COMPOSITION ADEKA CORP (JP) 2014-04-30 EP disclosed
US-7629401-B2 Antistatic composition ADEKA CORPORATION (JP) 2009-12-08 US disclosed
US-20080176979-A1 Antistatic Composition ADEKA CORPORATION (JP) 2008-07-24 US disclosed
EP-1862506-A1 ANTISTATIC COMPOSITION Adeka Corporation (JP) 2007-12-05 EP disclosed