SCHEMBL11682467

SCHEMBL11682467

CC1c2[nH]c3ccc(Cl)cc3c2CCC1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 12/20 0.60
MAPKAPK2 P49137 1/20 0.59
SIRT2 Q8IXJ6 3/20 0.55
SIRT3 Q9NTG7 2/20 0.55
ALOX15 P16050 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 3/20 0.52
MAPK1 P28482 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
GLA P06280 1/20 0.48

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
SCHEMBL3673946 0.82 SIRT1 (0.78) SIRT1MAPKAPK2SIRT2SIRT3ALOX15
SCHEMBL18715401 0.81 SIRT1 (0.59) SIRT1MAPKAPK2SIRT2SIRT3ALOX15
SCHEMBL1674922 0.77 SIRT1 (0.79) SIRT1MAPKAPK2SIRT2SIRT3ALOX15
SCHEMBL8543514 0.75 MAPKAPK2 (0.54) SIRT1MAPKAPK2SIRT2SIRT3ALOX15
SCHEMBL8545315 0.75 MAPKAPK2 (0.54) SIRT1MAPKAPK2SIRT2SIRT3ALOX15
SCHEMBL8545321 0.75 MAPKAPK2 (0.54) SIRT1MAPKAPK2SIRT2SIRT3ALOX15
SCHEMBL8543519 0.75 MAPKAPK2 (0.54) SIRT1MAPKAPK2SIRT2SIRT3ALOX15
SCHEMBL3575730 0.75 MAPKAPK2 (0.54) SIRT1MAPKAPK2SIRT2SIRT3ALOX15
SCHEMBL3484154 0.75 SIRT1 (1.00) SIRT1SIRT2SIRT3ALOX15SMN1; SMN2
SCHEMBL6245012 0.74 MAPKAPK2 (1.00) SIRT1MAPKAPK2HTR2AHTR2C

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
US-4009181-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIRHEUMATIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1977-02-22 US disclosed