SCHEMBL9616112

SCHEMBL9616112

C=C(C)C(=O)[CH]C(O)CO

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.39
TGFBR1 P36897 1/20 0.35
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL568804 0.75
SCHEMBL8656029 0.73
Methacrylic Acid SCHEMBL27592212 0.71 TGFBR1 (0.38) AKR1B1TGFBR1TSHRALDH1A1
Methacrylic Acid SCHEMBL31380069 0.71 AKR1B1 (0.61) AKR1B1TGFBR1
Methacrylic Acid SCHEMBL27458884 0.71 TGFBR1 (0.38) AKR1B1TGFBR1TSHRALDH1A1
SCHEMBL487654 0.70
SCHEMBL10800457 0.68 AKR1B1 (0.39) AKR1B1ALDH1A1
SCHEMBL6751741 0.67
Acetone SCHEMBL9744462 0.67 AKR1B1 (0.48) AKR1B1TGFBR1TDP1TSHRALDH1A1
Acetic Acid SCHEMBL11281238 0.67 AKR1B1 (0.48) AKR1B1TGFBR1TDP1TSHRALDH1A1

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-4187225-A None JP disclosed
JP-H04187225-A POROUS MEMBRANE AND ITS PRODUCTION MITSUBISHI RAYON CO LTD 1992-07-03 JP disclosed