SCHEMBL9630987

SCHEMBL9630987

NCCCC(N)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
DPP7 Q9UHL4 2/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
MMP2 P08253 1/20 0.46
ADRA2C P18825 1/20 0.44
MDM2 Q00987 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CES2 O00748 1/20 0.41
LMNA P02545 1/20 0.41
CES1 P23141 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL9631019 0.95 GSR (0.55) GSRHTR2AHRH1DPP7DPP8
SCHEMBL28992842 0.95 GSR (0.55) GSRHTR2AHRH1DPP7DPP8
SCHEMBL16553896 0.93 GSR (0.53) GSRDPP7DPP8DPP9MMP2
SCHEMBL7533307 0.93 GSR (0.53) GSRDPP7DPP8DPP9MMP2
SCHEMBL2460853 0.89 MDM2 (0.46) HTR2AHRH1MDM2TDP1L3MBTL1
SCHEMBL10265227 0.86 TDP1 (0.42) HTR2AHRH1DPP7DPP8DPP9
SCHEMBL10591572 0.85 POLB (0.51) GSRMDM2TDP1LTA4HPOLB
SCHEMBL9755844 0.85 POLB (0.51) GSRMDM2TDP1LTA4HPOLB
Pyrophosphoric Acid SCHEMBL29018593 0.85 DPP7 (0.46) GSRDPP7DPP8DPP9MMP2
SCHEMBL6823559 0.84 CES2 (0.47) HTR2AHRH1DPP7MMP2MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0368903-B1 ALTERNATING ALIPHATIC-AROMATIC POLY(ESTERAMIDE) AlliedSignal Inc. (US) 1992-08-26 EP disclosed
EP-0368903-A1 ALTERNATING ALIPHATIC-AROMATIC POLY(ESTERAMIDE). ALLIED SIGNAL INC (US) 1990-05-23 EP disclosed
WO-1989000171-A1 ALTERNATING ALIPHATIC-AROMATIC POLY(ESTERAMIDE) ALLIED-SIGNAL INC. (US) 1989-01-12 WO disclosed
US-4767839-A LIQUID CRYSTAL-FROM A DIACID AND DIESTERDIAMINE ALLIED-SIGNAL INC. (US) 1988-08-30 US disclosed