SCHEMBL11520161

SCHEMBL11520161

C=CCC(C)C(=O)OCCC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
HPGD P15428 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.32
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
DGKA P23743 1/20 0.31
FAAH O00519 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL11521228 0.86 TSHR (0.43) TSHRHPGDHCAR2TDP1ALDH1A1
SCHEMBL11792239 0.85 TSHR (0.49) TSHRHPGDHCAR2ALDH1A1DGKA
SCHEMBL11523026 0.84 TSHR (0.47) TSHRHPGDTDP1ALDH1A1
SCHEMBL356446 0.83 ALDH1A1 (0.39) TSHRHCAR2TDP1ALDH1A1LMNA
SCHEMBL18465494 0.83 ALDH1A1 (0.39) TSHRHCAR2TDP1ALDH1A1LMNA
SCHEMBL31693092 0.83 ALDH1A1 (0.39) TSHRHCAR2TDP1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL28975958 0.82 ALDH1A1 (0.37) TSHRHCAR2TDP1ALDH1A1LMNA
Water SCHEMBL2996871 0.82 ALDH1A1 (0.37) TSHRHCAR2TDP1ALDH1A1LMNA
SCHEMBL5689884 0.82 TSHR (0.39) TSHRHPGDHCAR2TDP1ALDH1A1
SCHEMBL11213886 0.79 TDP1 (0.44) TSHRHPGDTDP1ALDH1A1MEN1

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-4160846-A Method for controlling insects with tetrasubstituted organotin compounds UNIROYAL, INC. (US) 1979-07-10 US disclosed