SCHEMBL8197677

SCHEMBL8197677

C=CC=CC(CC)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL3428949 0.83
SCHEMBL13038083 0.83 KISS1R (0.32) GAPDHALDH1A1TSHR
SCHEMBL14533808 0.79
SCHEMBL26620 0.79
SCHEMBL27960481 0.78 TDP1 (0.37) CA2TDP1
Ethylene SCHEMBL3936195 0.77 TSHR (0.36) ALDH1A1TSHRCA2MAPK1CHRM1
SCHEMBL10928741 0.75
SCHEMBL5076843 0.75
SCHEMBL5076842 0.75
SCHEMBL2408294 0.75

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
US-6100373-A Functionalized diene monomers and polymers containing functionalized dienes and methods for their preparation IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2000-08-08 US claimed
EP-1044208-A1 ERYTHROMYCIN DERIVATIVES Pfizer Products Inc. (US) 2000-10-18 EP disclosed
US-6100373-A Functionalized diene monomers and polymers containing functionalized dienes and methods for their preparation IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2000-08-08 US disclosed
WO-1999035157-A1 NOVEL ERYTHROMYCIN DERIVATIVES PFIZER PRODUCTS INC. (US) 1999-07-15 WO disclosed