SCHEMBL27686263

SCHEMBL27686263

C=CCC(C)(C)C(=O)O.S=C=S

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
ACLY P53396 1/20 0.35
MAPT P10636 1/20 0.33
CCR2 P41597 1/20 0.32
HTT P42858 1/20 0.32
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
PPARA Q07869 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
SCHEMBL293485 0.91
Hydrochloric Acid SCHEMBL8882940 0.89 TSHR (0.41) TSHRALDH1A1ACLYMAPTCCR2
SCHEMBL32930881 0.80 ALDH1A1 (0.33) TSHRALDH1A1ACLYMAPT
SCHEMBL8201537 0.78 MAPT (0.37) TSHRALDH1A1ACLYMAPTCCR2
SCHEMBL27716928 0.76 ALDH1A1 (0.33) TSHRALDH1A1ACLY
SCHEMBL6717588 0.75
SCHEMBL9465725 0.74 TSHR (0.37) TSHRALDH1A1ACLYMAPTHTT
SCHEMBL4453702 0.74 CCR2 (0.36) TSHRALDH1A1MAPTCCR2HTT
Decanoic Acid SCHEMBL7827317 0.72 GPR84 (0.57) TSHRALDH1A1MAPTCYP2C19PPARA
SCHEMBL6729397 0.72

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
CN-101087812-A Process for preparing polymers and compositions thereof LUBRIZOL CORP (US) 2007-12-12 CN disclosed