SCHEMBL587114

SCHEMBL587114

CCCCCCCCC[S+]([O-])c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
DNM1 Q05193 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 1/20 0.37
TSHR P16473 1/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 2/20 0.36
KCNH2 Q12809 1/20 0.36
NAAA Q02083 1/20 0.36
LIPG Q9Y5X9 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL5073895 1.00 CES2 (0.41) CES2CES1DNM1MEN1KMT2A
SCHEMBL7329821 1.00 CES2 (0.41) CES2CES1DNM1MEN1KMT2A
SCHEMBL27598273 1.00 CES2 (0.41) CES2CES1DNM1MEN1KMT2A
SCHEMBL10357516 1.00 CES2 (0.41) CES2CES1DNM1MEN1KMT2A
SCHEMBL9815169 1.00 CES2 (0.41) CES2CES1DNM1MEN1KMT2A
SCHEMBL12040835 1.00 CES2 (0.41) CES2CES1DNM1MEN1KMT2A
SCHEMBL17817574 1.00 CES2 (0.41) CES2CES1DNM1MEN1KMT2A
SCHEMBL6002849 0.98 CES2 (0.39) CES2CES1DNM1MEN1KMT2A
SCHEMBL779932 0.92 CES2 (0.37) CES2CES1TP53SMN1; SMN2TSHR
SCHEMBL9760714 0.92 CES2 (0.37) CES2CES1TP53SMN1; SMN2TSHR

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
CN-107428741-B Cyclic compounds substituted by condensed ring systems 巴斯夫欧洲公司 2021-06-25 CN disclosed
EP-2416954-A1 OLED DEVICE CONTAINING A SILYL-FLUORANTHENE DERIVATIVE Global OLED Technology LLC (US) 2012-02-15 EP disclosed
WO-2010114838-A1 OLED DEVICE CONTAINING A SILYL-FLUORANTHENE DERIVATIVE GLOBAL OLED TECHNOLOGY LLC (US) 2010-10-07 WO disclosed