SCHEMBL22765129

SCHEMBL22765129

C/C=C/C=C(\C)C(=O)c1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 3/20 0.54
▸ CES1 P23141 3/20 0.54
▸ ALDH1A1 P00352 6/20 0.44
▸ HTT P42858 3/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ PKM P14618 2/20 0.44
▸ ATM Q13315 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ NLRP1 Q9C000 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NTSR1 P30989 1/20 0.44
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ GSK3B P49841 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GAA P10253 1/20 0.39

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
SCHEMBL23864293 0.85 CES2 (0.54) CES2CES1ALDH1A1HTTNPSR1
SCHEMBL22373594 0.83 CES2 (0.52) CES2CES1ALDH1A1NPSR1LMNA
SCHEMBL21229905 0.81 SMN1; SMN2 (0.52) CES2CES1ALDH1A1SMN1; SMN2HPGD
SCHEMBL26294470 0.81 ALDH1A1 (0.47) CES2CES1ALDH1A1LMNATDP1
SCHEMBL23451910 0.81 ALDH1A1 (0.47) CES2CES1ALDH1A1HTTLMNA
SCHEMBL18537213 0.81 RAB9A (0.51) ALDH1A1LMNASMN1; SMN2TDP1KMT2A
SCHEMBL22002016 0.77 PARP10 (0.54) ALDH1A1NPSR1LMNATDP1KMT2A
SCHEMBL14365886 0.77 PTGS2 (0.44) ALDH1A1LMNASMN1; SMN2HPGDMAPT
Bicarbonate SCHEMBL9519795 0.76 ALDH1A1 (0.48) CES2CES1ALDH1A1HTTNPSR1
SCHEMBL26380960 0.75 CES2 (0.50) CES2CES1ALDH1A1HTTNPSR1

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
WO-2020246349-A1 PHOTOSENSITIVE RESIN COMPOSITION AND CURED FILM THEREOF 三菱瓦斯化学株式会社 2020-12-10 — — WO disclosed
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