SCHEMBL28489153

SCHEMBL28489153

COc1ccc(C(CC(=O)O)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.61
KMT2A Q03164 3/20 0.61
TDP1 Q9NUW8 1/20 0.60
HTT P42858 2/20 0.59
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CRHBP P24387 1/20 0.59
CYP2C19 P33261 1/20 0.59
CRHR2 Q13324 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CACNA2D1 P54289 2/20 0.58
CACNA1B Q00975 2/20 0.58
CACNB1 Q02641 2/20 0.58
CACNA1C Q13936 2/20 0.58
CACNA1G O43497 1/20 0.58

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
SCHEMBL6484578 0.94 FFAR1 (0.66) FFAR1KMT2ATDP1HTTMEN1
SCHEMBL2889577 0.89 TDP1 (0.60) KMT2ATDP1HTTMEN1LMNA
SCHEMBL2889581 0.89 TDP1 (0.60) KMT2ATDP1HTTMEN1LMNA
SCHEMBL13140291 0.88 FFAR1 (0.81) FFAR1TDP1
SCHEMBL28490573 0.86 FFAR1 (0.79) FFAR1KMT2AHTTMEN1LMNA
SCHEMBL1429119 0.86 KMT2A (0.60) KMT2ATDP1HTTMEN1LMNA
SCHEMBL18055503 0.86 FNTA (0.59) FFAR1KMT2AMEN1LMNACYP1A2
SCHEMBL628797 0.83 LMNA (0.56) FFAR1KMT2ATDP1HTTMEN1
SCHEMBL13264702 0.83 FFAR1 (0.71) FFAR1KMT2ATDP1MEN1CYP1A2
SCHEMBL9423408 0.83 CNR2 (0.61) KMT2ATDP1HTTMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197036-B Method for performing anti-mahalanobis hydrogen carboxylation reaction on photocatalytic olefin compound and carbon dioxide 中国科学院理化技术研究所 2024-01-23 CN disclosed
CN-115197036-A Method for carrying out anti-Ma hydrocarboxylation reaction on olefin compound and carbon dioxide by photocatalysis 中国科学院理化技术研究所 2022-10-18 CN disclosed
CN-111777477-B Method for synthesizing succinic acid derivative or 3-aryl propionic acid 四川大学 2021-09-14 CN disclosed
CN-111777477-A Method for synthesizing succinic acid derivative or 3-aryl propionic acid 四川大学 2020-10-16 CN disclosed