SCHEMBL27588182

SCHEMBL27588182

CC(=Cc1ccccc1)C(=O)c1ccccc1.CCCCCCl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.49
CES1 P23141 6/20 0.49
AKR1C3 P42330 1/20 0.47
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
ELANE P08246 1/20 0.41
PLA2G4A P47712 1/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
NAAA Q02083 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AKR1C1 Q04828 1/20 0.39
EGFR P00533 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 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
SCHEMBL28941754 0.86 CES2 (0.49) CES2CES1LMNATDP1ELANE
SCHEMBL27606020 0.84 CES2 (0.51) CES2CES1LMNATDP1ELANE
SCHEMBL6064618 0.83 AKR1C3 (0.67) CES2CES1AKR1C3LMNAMTNR1A
SCHEMBL351852 0.83 AKR1C3 (0.67) CES2CES1AKR1C3LMNAMTNR1A
SCHEMBL11407221 0.83 AKR1C3 (0.67) CES2CES1AKR1C3LMNAMTNR1A
Acetophenone SCHEMBL18788593 0.78 CES2 (0.51) CES2CES1LMNANAAAALDH1A1
Benzophenone SCHEMBL28171686 0.76 ALDH1A1 (0.54) CES2CES1LMNATDP1ELANE
Benzoic Acid SCHEMBL28180842 0.76 TSHR (0.54) CES2CES1NAAA
Chalcone SCHEMBL6392677 0.75 BCHE (0.65) LMNATDP1ALDH1A1NPC1RAB9A
Chalcone SCHEMBL6392672 0.75 BCHE (0.65) LMNATDP1ALDH1A1NPC1RAB9A

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-1548463-A Epoxy resin polymer, preparation method thereof and liquid crystal alignment layer material containing the same 长兴化学工业股份有限公司 2004-11-24 CN claimed
CN-1548463-A Epoxy resin polymer, preparation method thereof and liquid crystal alignment layer material containing the same 长兴化学工业股份有限公司 2004-11-24 CN disclosed