SCHEMBL29006133

SCHEMBL29006133

CCCCC(C)c1ccc(C=CC=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 3/20 0.40
TRPA1 O75762 2/20 0.40
MAPK1 P28482 2/20 0.40
ALOX5 P09917 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
GRIA4 P48058 1/20 0.35
TYR P14679 1/20 0.35
XDH P47989 2/20 0.35
DDAH1 O94760 1/20 0.34
GAPDH P04406 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL28507577 0.95 ALDH1A1 (0.41) ALDH1A1MAPTKDM4ELMNATRPA1
SCHEMBL846594 0.83 TYR (0.53) ALDH1A1MAPTLMNASMN1; SMN2GRIA4
SCHEMBL6685021 0.78 RIPK1 (0.40) POLB
SCHEMBL19899813 0.78 ALDH1A1 (0.40) ALDH1A1MAPTKDM4ELMNATRPA1
SCHEMBL28449938 0.78 NR1I2 (0.51) ALDH1A1MAPTKDM4ELMNATRPA1
SCHEMBL16612331 0.77 TYR (0.50) ALDH1A1MAPTLMNASMN1; SMN2GRIA4
SCHEMBL2778094 0.76 ALDH1A1 (0.41) ALDH1A1TYRPOLBTAS1R3TAS1R1
SCHEMBL2833821 0.75 TYR (0.61) ALDH1A1MAPTKDM4ELMNATRPA1
SCHEMBL2349983 0.75 TYR (0.61) ALDH1A1MAPTKDM4ELMNATRPA1
SCHEMBL13126238 0.74 GRIA4 (0.51) ALDH1A1MAPTLMNASMN1; SMN2GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114133982-B Method for preparing perfume with rose fragrance and composition raw materials 万华化学集团股份有限公司 2024-02-27 CN claimed
CN-116178790-A Environment-friendly asphalt improver and preparation method and application thereof 山东京博石油化工有限公司 2023-05-30 CN claimed
CN-117209850-A Smell-removing smoke-suppressing agent and smell-removing smoke-suppressing rubber asphalt 甘肃路桥善建科技有限公司 2023-12-12 CN disclosed
CN-116178790-A Environment-friendly asphalt improver and preparation method and application thereof 山东京博石油化工有限公司 2023-05-30 CN disclosed
CN-116178790-A Environment-friendly asphalt improver and preparation method and application thereof 山东京博石油化工有限公司 2023-05-30 CN disclosed