SCHEMBL8201537

SCHEMBL8201537

C=CCC(C)(C)C(=O)O.C=CCC(C)(C)C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARA Q07869 1/20 0.33
CCR2 P41597 1/20 0.33
ACLY P53396 1/20 0.32
DGAT1 O75907 1/20 0.32
LMNA P02545 1/20 0.32
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 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
SCHEMBL631049 0.92 CYP2C19 (0.38) MAPTCYP2C19ALDH1A1TSHRPOLB
Ammonia Solution, Strong SCHEMBL16895224 0.90 CYP2C19 (0.37) MAPTCYP2C19ALDH1A1POLBTDP1
SCHEMBL293485 0.85
Hydrochloric Acid SCHEMBL8882940 0.83 TSHR (0.41) MAPTCYP2C19ALDH1A1TSHRPPARA
SCHEMBL18418935 0.81 MAPT (0.36) MAPTCYP2C19ALDH1A1TSHRPOLB
SCHEMBL26135944 0.79 CCR2 (0.38) MAPTCYP2C19POLBTDP1CCR2
SCHEMBL6450503 0.78 MAPT (0.38) MAPTCYP2C19ALDH1A1TSHRPOLB
SCHEMBL27686263 0.78 TSHR (0.37) MAPTCYP2C19ALDH1A1TSHRPPARA
SCHEMBL27412775 0.77 MAPT (0.41) MAPTCYP2C19ALDH1A1TSHRPOLB
SCHEMBL7975198 0.76 MAPT (0.39) MAPTCYP2C19ALDH1A1TSHRPOLB

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
EP-0998504-A1 POLYMERIZATION OF OLEFINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-10 EP disclosed
WO-1999005189-A1 POLYMERIZATION OF OLEFINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-02-04 WO disclosed