SCHEMBL9720187

SCHEMBL9720187

CC(CCCO)C(C)CCCO

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 4/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
PTPN1 P18031 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
SCHEMBL4891741 0.91 TSHR (0.37) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
SCHEMBL1052850 0.88 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
SCHEMBL1657137 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
SCHEMBL1658306 0.88 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
SCHEMBL26118 0.87
SCHEMBL16786319 0.87
SCHEMBL19501042 0.87
SCHEMBL811727 0.86 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
SCHEMBL6003917 0.84 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
SCHEMBL8532460 0.84

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-5104503-A Radiation in presence of group 2b metal YALE UNIVERSITY (US) 1992-04-14 US disclosed