Acrylic Acid

Acrylic Acid

SCHEMBL28962327

C=CC(=O)O.O=[N+]([O-])O.OCCCO

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ERG11

The experimentally established mechanism targets of Acrylic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ CA5A P35218 1/20 0.36
▸ CA5B Q9Y2D0 1/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CPA1 P15085 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CAMK2A Q9UQM7 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ GPR84 Q9NQS5 1/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ OR51E2 Q9H255 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ HBB P68871 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HIF1A Q16665 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
Acrylic Acid SCHEMBL27765669 0.91 LMNA (0.50) LMNACA5ACA5BALOX15HSD17B10
Acrylic Acid SCHEMBL30721670 0.85 LMNA (0.62) LMNAALOX15HSD17B10ALDH1A1TDP1
Acrylic Acid SCHEMBL9116202 0.85 LMNA (0.62) LMNAALOX15HSD17B10ALDH1A1TDP1
Acrylic Acid SCHEMBL30876351 0.85 LMNA (0.62) LMNAALOX15HSD17B10ALDH1A1TDP1
Acrylic Acid SCHEMBL6361862 0.85 — —
Acrylic Acid SCHEMBL29794133 0.85 LMNA (0.62) LMNAALOX15HSD17B10ALDH1A1TDP1
Acrylic Acid SCHEMBL1629116 0.85 LMNA (0.62) LMNAALOX15HSD17B10ALDH1A1TDP1
1,6-Hexanediol SCHEMBL29398224 0.80 LMNA (0.56) LMNAALOX15HSD17B10ALDH1A1TDP1
Acrylic Acid SCHEMBL11143558 0.80 LMNA (0.43) LMNACA5ACA5BALOX15HSD17B10
1,4-Butanediol SCHEMBL29620370 0.80 LMNA (0.62) LMNAALOX15HSD17B10ALDH1A1TDP1

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-115427389-A Process for the preparation of omega-alkanediol mononitrate 帝斯曼知识产权资产管理有限公司 2022-12-02 — — CN disclosed
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