Acrylic Acid

Acrylic Acid

SCHEMBL28307267

C=CC(=O)O.CC=C(CN)c1ccccc1

nearest known ligand 0.56

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 2/20 0.56
AKT1 P31749 1/20 0.47
HDAC3 O15379 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
TSHR P16473 2/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
PDPK1 O15530 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
PARP1 P09874 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8574266 0.87 HDAC1 (0.59) HDAC1HDAC2
Benzoic Acid SCHEMBL5308914 0.73 TSHR (0.58) AKT1TSHRCYP3A4MAPTTDP1
SCHEMBL20709033 0.73 HDAC1 (0.53) HDAC1HDAC2
Benzamide SCHEMBL8991968 0.72 PARP1 (0.73) AKT1TSHRPOLBCYP3A4PARP1
SCHEMBL27462909 0.72 HDAC1 (0.57) HDAC1HDAC2HDAC3NCOR2
Acetophenone SCHEMBL9492574 0.72 AKT1 (0.58) AKT1TSHRPOLBCYP3A4MAPT
Benzoic Acid SCHEMBL30978335 0.72 TSHR (0.70) AKT1TSHRCYP3A4MAPTHSD17B10
Acrylic Acid SCHEMBL22472204 0.72 AKT1 (0.62) AKT1TSHRPOLBCYP3A4PARP1
Benzoic Acid SCHEMBL2099239 0.72 TSHR (0.70) AKT1TSHRCYP3A4MAPTHSD17B10
Benzil SCHEMBL542099 0.72 CES2 (0.70) AKT1TSHRCYP3A4MAPTHSD17B10

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-109962184-A A kind of gel and preparation method thereof 深圳市天时伟业新能源有限公司 2019-07-02 CN disclosed