SCHEMBL905474

SCHEMBL905474

CC(=O)OC(C)=O.CCCC(C)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
BHMT Q93088 1/20 0.40
GPR84 Q9NQS5 4/20 0.37
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALOX15 P16050 1/20 0.36
FFAR3 O14843 1/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL905472 1.00 TSHR (0.40) TSHRALDH1A1BHMTGPR84CHRM1
SCHEMBL276026 0.87
SCHEMBL7949338 0.87
SCHEMBL905435 0.87
SCHEMBL27935804 0.85 TSHR (0.46) TSHRALDH1A1BHMTGPR84CHRM1
Ethane SCHEMBL5187495 0.85 TSHR (0.46) TSHRALDH1A1BHMTGPR84CHRM1
SCHEMBL30066031 0.83 ACE2 (0.45) TSHRALDH1A1BHMTGPR84CHRM1
SCHEMBL905473 0.82 TSHR (0.39) TSHRALDH1A1CHRM1AKR1A1CHRM3
SCHEMBL15514538 0.79 ACE2 (0.47) TSHRALDH1A1BHMTGPR84CHRM1
SCHEMBL9146257 0.78 TSHR (0.44) TSHRALDH1A1BHMTGPR84CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2278014-A2 Method for producing alcohol and carboxylic acid having optical activity API Corporation (JP) 2011-01-26 EP disclosed
EP-2270178-A2 Method for producing alcohol and carboxylic acid having optical activity API Corporation (JP) 2011-01-05 EP disclosed
US-20080233621-A1 Method For Producing Alcohol and Carboxylic Acid Having Optical Activity API CORPORATION (JP) 2008-09-25 US disclosed