SCHEMBL9397357

SCHEMBL9397357

CCCCCCCCCCCCCCC(=O)C1c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.50
CES1 P23141 5/20 0.50
EPHX2 P34913 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
LMNA P02545 1/20 0.44
HSD17B3 P37058 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
SCHEMBL4912246 0.89 CES2 (0.45) CES2CES1MEN1KMT2A
Heptanoate SCHEMBL10355896 0.81 GPR84 (0.57) CES2CES1TDP1MEN1KMT2A
SCHEMBL22802235 0.81 SLC25A5 (0.54) CES2CES1EPHX2TDP1MEN1
Octanoic Acid SCHEMBL10355537 0.81 GPR84 (0.57) CES2CES1TDP1MEN1KMT2A
SCHEMBL11354503 0.80 HTR2C (0.45) CES2CES1ALDH1A1MAPTLMNA
SCHEMBL17022586 0.79 CDC25A (0.49) CES2CES1MEN1KMT2AALDH1A1
Hexanoate SCHEMBL10355855 0.79 AKR1B1 (0.55) CES2CES1TDP1MEN1KMT2A
SCHEMBL17022700 0.77 CDC25A (0.44) CES1MEN1KMT2AALDH1A1
SCHEMBL2341741 0.77 PLA2G4B (0.38) MEN1KMT2AALDH1A1LMNA
SCHEMBL28673551 0.74 CES2 (0.41) CES2CES1EPHX2MEN1KMT2A

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-2682255-B1 THERMOPLASTIC RESIN COMPOSITION, AND MOLDED PRODUCT THEREOF TORAY INDUSTRIES (JP) 2015-12-16 EP claimed
EP-0311040-B1 Method to recover poly(arylene sulfide)s with vaporized liquids PHILLIPS PETROLEUM CO (US) 1994-04-27 EP claimed
EP-0309916-B1 SOLID STATE CURING OF POLY(ARYLENE SULFIDE) RESINS IN REDUCED OXYGEN ATMOSPHERES PHILLIPS PETROLEUM COMPANY (US) 1993-07-21 EP claimed
WO-2012117840-A1 THERMOPLASTIC RESIN COMPOSITION, AND MOLDED PRODUCT THEREOF 東レ株式会社 (JP) 2012-09-07 WO disclosed