SCHEMBL6910571

SCHEMBL6910571

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
GPR84 Q9NQS5 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FOLH1 Q04609 1/20 0.33
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 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
SCHEMBL25637980 0.81 TDP1 (0.56) TDP1GPR84SMN1; SMN2FOLH1CA2
SCHEMBL2231042 0.81 TDP1 (0.62) TDP1GPR84SMN1; SMN2FOLH1CHRM1
SCHEMBL28522123 0.79 TDP1 (0.39) TDP1CA2MAPK1CHRM1AKR1A1
Ethane SCHEMBL27124138 0.79 TDP1 (0.59) TDP1GPR84SMN1; SMN2FOLH1
SCHEMBL20564459 0.78 TDP1 (0.52) TDP1GPR84SMN1; SMN2FOLH1CA2
SCHEMBL25637958 0.77 TDP1 (0.46) TDP1GPR84FOLH1CHRM1AKR1A1
SCHEMBL27965404 0.77 FOLH1 (0.48) TDP1GPR84FOLH1CA2MAPK1
SCHEMBL27682479 0.76 FOLH1 (0.47) TDP1GPR84FOLH1CA2MAPK1
SCHEMBL14359807 0.75 CACNA2D1 (0.43) TDP1GPR84SMN1; SMN2FOLH1CHRM1
SCHEMBL13696847 0.74 GPR84 (0.58) TDP1GPR84

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-6818583-B1 HIGH YIELDS AND HIGH ISOTACTIC INDEX; COMPRISING MG, TI, HALOGEN AND A SUCCINATE ELECTRON DONOR BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2004-11-16 US disclosed