SCHEMBL28658441

SCHEMBL28658441

C=COC=Cc1ccccc1.[KH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAOB P27338 2/20 0.44
TSHR P16473 1/20 0.44
TRPA1 O75762 2/20 0.39
LMNA P02545 2/20 0.38
NFE2L2 Q16236 1/20 0.38
CYP19A1 P11511 1/20 0.38
MAOA P21397 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPK1 P28482 1/20 0.38
IDO1 P14902 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HDAC3 O15379 1/20 0.37
TNKS O95271 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL20454571 0.98 ALDH1A1 (0.46) ALDH1A1MAOBTSHRTRPA1LMNA
SCHEMBL374820 0.98 ALDH1A1 (0.46) ALDH1A1MAOBTSHRTRPA1LMNA
SCHEMBL175340 0.83 MAOB (0.55) ALDH1A1MAOBTSHRTRPA1LMNA
SCHEMBL175339 0.83 MAOB (0.55) ALDH1A1MAOBTSHRTRPA1LMNA
Styrene SCHEMBL27902756 0.82 ALDH1A1 (0.64) ALDH1A1MAOBTSHRTRPA1LMNA
Formaldehyde SCHEMBL21494178 0.81 MAOB (0.48) ALDH1A1MAOBTSHRTRPA1LMNA
Fluoride SCHEMBL28291139 0.80 MAOB (0.52) ALDH1A1MAOBTRPA1LMNANFE2L2
Formaldehyde SCHEMBL28237501 0.79 MAOB (0.46) ALDH1A1MAOBTSHRTRPA1LMNA
SCHEMBL18118950 0.77 IDO1 (0.43) ALDH1A1MAOBTSHRLMNAMAPK1
SCHEMBL9491570 0.76 MAOB (0.48) ALDH1A1MAOBTRPA1LMNANFE2L2

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
CN-113754521-A Synthetic process method of avobenzone 马鞍山科思化学有限公司 2021-12-07 CN claimed
CN-113754521-A Synthetic process method of avobenzone 马鞍山科思化学有限公司 2021-12-07 CN disclosed