SCHEMBL8612928

SCHEMBL8612928

CC(C)(C)OOCCCCCCCCCCCC(=O)OO

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.37
ALDH1A1 P00352 2/20 0.34
NAAA Q02083 2/20 0.32
DNM1 Q05193 1/20 0.32
LMNA P02545 3/20 0.32
TSHR P16473 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
PAM P19021 2/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL11409933 0.92 ALDH1A1 (0.33) DGKAALDH1A1PAM
SCHEMBL11710351 0.85 ALDH1A1 (0.38) DGKAALDH1A1NAAADNM1TSHR
SCHEMBL28174520 0.83 DGKA (0.34) DGKAALDH1A1TSHR
SCHEMBL9901823 0.81 ALDH1A1 (0.55) ALDH1A1LMNATSHR
SCHEMBL3878580 0.81 PAOX (0.43) DGKAALDH1A1LMNAHDAC1HDAC2
SCHEMBL28187732 0.81 DGKA (0.35) DGKAALDH1A1NAAALMNATSHR
SCHEMBL28377159 0.80 DGKA (0.32) DGKAALDH1A1TSHR
SCHEMBL27402323 0.80 CYP1A2 (0.48) DGKAALDH1A1DNM1TSHRGAA
SCHEMBL28342786 0.80 TSHR (0.32) ALDH1A1TSHR
SCHEMBL8505093 0.80 TSHR (0.32) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0838496-A1 Thermoplastic resin composition UBE INDUSTRIES, LTD. (JP) 1998-04-29 EP disclosed