SCHEMBL11301675

SCHEMBL11301675

CCCC[Sn](CC)(CC)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CES1 P23141 6/20 0.33
CES2 O00748 6/20 0.32
LMNA P02545 3/20 0.32
HSD17B10 Q99714 1/20 0.32
FAAH O00519 1/20 0.32
TSHR P16473 2/20 0.31
ATM Q13315 1/20 0.30
AKR1B1 P15121 1/20 0.30
TP53 P04637 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
SCHEMBL8837576 0.92 ALDH1A1 (0.39) ALDH1A1CES1CES2LMNAHSD17B10
SCHEMBL78640 0.91 ALDH1A1 (0.44) ALDH1A1CES1CES2LMNAHSD17B10
SCHEMBL15529227 0.84 ALDH1A1 (0.43) ALDH1A1CES1CES2HSD17B10FAAH
SCHEMBL15529767 0.83 ALDH1A1 (0.41) ALDH1A1CES1CES2HSD17B10FAAH
SCHEMBL15529628 0.83 ALDH1A1 (0.41) ALDH1A1CES1CES2HSD17B10FAAH
SCHEMBL15529777 0.83 ALDH1A1 (0.41) ALDH1A1CES1CES2HSD17B10FAAH
SCHEMBL9412419 0.83 ALDH1A1 (0.41) ALDH1A1CES1CES2HSD17B10FAAH
SCHEMBL674337 0.83 ALDH1A1 (0.41) ALDH1A1CES1CES2HSD17B10FAAH
SCHEMBL15529876 0.83 ALDH1A1 (0.41) ALDH1A1CES1CES2HSD17B10FAAH
SCHEMBL1058855 0.81 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56043552-A None JP disclosed
JP-S5643552-A MOISTURE SENSING SEMICONDUCTOR ELEMENT AND ITS PREPARATION HITACHI LTD 1981-04-22 JP disclosed