SCHEMBL28422871

SCHEMBL28422871

O=CC=Cc1ccc(CCO)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ CYP4F2 P78329 4/20 0.50
▸ CYP4A11 Q02928 4/20 0.50
▸ TRPA1 O75762 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ALOX5 P09917 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ XDH P47989 2/20 0.46
▸ CA2 P00918 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA4 P22748 2/20 0.41
▸ CA6 P23280 2/20 0.41
▸ CA5A P35218 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41

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
Cinnamaldehyde SCHEMBL20912970 0.87 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTTRPA1LMNA
Cinnamaldehyde SCHEMBL20912971 0.87 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTTRPA1LMNA
SCHEMBL28417658 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTTRPA1LMNA
SCHEMBL5021278 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTTRPA1LMNA
SCHEMBL9997525 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTTRPA1LMNA
SCHEMBL1308898 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTCYP4F2CYP4A11
SCHEMBL77237 0.79 CA2 (0.52) ALDH1A1KDM4EMAPTCYP4F2CYP4A11
SCHEMBL1310214 0.78 ALDH1A1 (0.75) ALDH1A1KDM4EMAPTTRPA1LMNA
SCHEMBL1310216 0.78 ALDH1A1 (0.75) ALDH1A1KDM4EMAPTTRPA1LMNA
SCHEMBL36222 0.77 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTTRPA1LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111302914-B Preparation method of beta-hydroxyethyl cinnamaldehyde 上海拜乐新材料科技有限公司 2022-11-18 — — CN claimed
CN-111302914-A Preparation method of β -hydroxyethyl cinnamaldehyde 上海拜乐新材料科技有限公司 2020-06-19 — — CN claimed
CN-111302914-B Preparation method of beta-hydroxyethyl cinnamaldehyde 上海拜乐新材料科技有限公司 2022-11-18 — — CN disclosed
CN-111302914-B Preparation method of beta-hydroxyethyl cinnamaldehyde 上海拜乐新材料科技有限公司 2022-11-18 — — CN disclosed
CN-111302914-B Preparation method of beta-hydroxyethyl cinnamaldehyde 上海拜乐新材料科技有限公司 2022-11-18 — — CN disclosed
CN-111302914-A Preparation method of β -hydroxyethyl cinnamaldehyde 上海拜乐新材料科技有限公司 2020-06-19 — — CN disclosed
CN-111302914-A Preparation method of β -hydroxyethyl cinnamaldehyde 上海拜乐新材料科技有限公司 2020-06-19 — — CN disclosed
CN-111302914-A Preparation method of β -hydroxyethyl cinnamaldehyde 上海拜乐新材料科技有限公司 2020-06-19 — — CN disclosed
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