SCHEMBL11246208

SCHEMBL11246208

C=C(C)C(=O)N(SC1CCCCCCC1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
KMT2A Q03164 5/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 4/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
PAX8 Q06710 1/20 0.38
ATM Q13315 2/20 0.36
TRPM8 Q7Z2W7 2/20 0.35
POLB P06746 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL11243582 1.00 PKM (0.40) PKMKMT2AGAALMNAALDH1A1
SCHEMBL11253803 0.99 PKM (0.38) PKMKMT2AGAALMNAALDH1A1
SCHEMBL11293022 0.88 ALDH1A1 (0.43) PKMKMT2AGAALMNAALDH1A1
SCHEMBL11288778 0.88 ALDH1A1 (0.43) PKMKMT2AGAALMNAALDH1A1
SCHEMBL11291463 0.86 ALDH1A1 (0.41) PKMKMT2AGAALMNAALDH1A1
SCHEMBL11353342 0.82 ALDH1A1 (0.43) PKMKMT2AGAALMNAALDH1A1
SCHEMBL11359679 0.79 ALDH1A1 (0.41) PKMKMT2AGAALMNAALDH1A1
SCHEMBL11276466 0.78 ALDH1A1 (0.40) PKMKMT2AGAALMNAALDH1A1
SCHEMBL11276019 0.78 ALDH1A1 (0.40) PKMKMT2AGAALMNAALDH1A1
SCHEMBL11271271 0.76 KEAP1 (0.39) PKMKMT2AGAALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4311648-A VULCANIZATION INHIBITION MONSANTO COMPANY (US) 1982-01-19 US disclosed
US-4291141-A INHIBITORS OF PREMATURE VULCANIZATION OF DIENES MONSANTO COMPANY (US) 1981-09-22 US disclosed