SCHEMBL11765764

SCHEMBL11765764

CCC(CC)CCCC(CC)CC=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 3/20 0.39
TDP1 Q9NUW8 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
CA2 P00918 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.31

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
SCHEMBL78112 0.88 TSHR (0.54) TSHRALDH1A1CYP3A4TDP1SMN1; SMN2
SCHEMBL11761561 0.87 ALDH1A1 (0.34) TSHRALDH1A1CYP3A4TDP1SMN1; SMN2
SCHEMBL444299 0.86 TSHR (0.46) TSHRALDH1A1CYP3A4TDP1SMN1; SMN2
SCHEMBL8396490 0.84 LMNA (0.46) TSHRALDH1A1CYP3A4TDP1SMN1; SMN2
SCHEMBL8351983 0.84 LMNA (0.46) TSHRALDH1A1CYP3A4TDP1SMN1; SMN2
SCHEMBL11765919 0.84 ALDH1A1 (0.35) TSHRALDH1A1CYP3A4TDP1SMN1; SMN2
SCHEMBL30646658 0.84 LMNA (0.46) TSHRALDH1A1CYP3A4TDP1SMN1; SMN2
SCHEMBL8162693 0.84 TSHR (0.44) TSHRALDH1A1CYP3A4TDP1SMN1; SMN2
SCHEMBL9262127 0.84 LMNA (0.46) TSHRALDH1A1CYP3A4TDP1SMN1; SMN2
SCHEMBL28683258 0.84 LMNA (0.46) TSHRALDH1A1CYP3A4TDP1SMN1; SMN2

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-4021461-A INSECTICIDES ZOECON CORPORATION (US) 1977-05-03 US disclosed