SCHEMBL8611923

SCHEMBL8611923

CCC(C)(C)C1=CC(O)=CC(=O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
CES2 O00748 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
CES1 P23141 1/20 0.38
MPI P34949 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
XIAP P98170 1/20 0.32
MCL1 Q07820 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32

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
SCHEMBL8614888 0.79 MAPT (0.59) ATMALDH1A1MAPTCES2PKM
SCHEMBL8610511 0.78 ATM (0.53) ATMALDH1A1MAPTCES2PKM
SCHEMBL11421705 0.73 ATM (0.36) ATMALDH1A1MAPTCES2PKM
SCHEMBL1886441 0.72 ATM (0.34) ATMALDH1A1MAPTCES2PKM
SCHEMBL8611116 0.71 XIAP (0.37) ALDH1A1MAPTHPGDXIAPMAPK1
SCHEMBL28307697 0.70 ATM (0.33) ATMALDH1A1MAPTCES2PKM
SCHEMBL8614091 0.69 XIAP (0.40) ATMALDH1A1MAPTCES2PKM
SCHEMBL1138203 0.67 LMNA (0.60) ATMALDH1A1MAPTPKMHPGD
SCHEMBL8611484 0.67 ATM (0.33) ATMALDH1A1MAPTCES2PKM
SCHEMBL4455979 0.66 POLB (0.30)

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-5780515-A APPLYING TO PLANTS; REDUCED TOXICITY AND IRRITATION ROCKHURST UNIVERSITY (US) 1998-07-14 US claimed
US-5780515-A APPLYING TO PLANTS; REDUCED TOXICITY AND IRRITATION ROCKHURST UNIVERSITY (US) 1998-07-14 US disclosed