SCHEMBL29208317

SCHEMBL29208317

COCC(O)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.46
CA4 P22748 1/20 0.41
CYP2D6 P10635 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL6056610 0.86 LMNA (0.44) LMNAMAPTCYP2D6CYP1A2CYP3A4
SCHEMBL50191 0.83 LMNA (0.47) LMNAMAPTCA4CYP2D6MTNR1A
SCHEMBL28389841 0.82 LMNA (0.47) LMNACYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL10960143 0.81 LMNA (0.61) LMNAMAPTCYP2D6CYP1A2CYP3A4
SCHEMBL2506181 0.81 LMNA (0.45) LMNAMAPTCYP2D6CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL28208616 0.81 LMNA (0.45) LMNAMAPTCA4MTNR1AMTNR1B
SCHEMBL98301 0.80 RECQL (0.50) LMNAMAPTCYP2D6CYP1A2CYP3A4
Di(Hydroxyethyl)Ether SCHEMBL29072093 0.79 RECQL (0.48) LMNAMAPTCYP2D6L3MBTL1ALDH1A1
SCHEMBL6437044 0.78 CA4 (0.44) LMNAMAPTCA4MTNR1AMTNR1B
SCHEMBL27703461 0.78 LMNA (0.42) LMNAMAPTCA4CYP1A2CYP2C9

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
CN-115260485-B Polycondensate containing multiple adsorption groups, preparation method and application thereof 南京博特新材料有限公司 2024-03-29 CN disclosed