SCHEMBL29015138

SCHEMBL29015138

CCOC(=O)C(Cl)=Cc1ccccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 5/20 0.48
LMNA P02545 3/20 0.48
POLB P06746 2/20 0.48
PLIN1 O60240 1/20 0.48
PLIN5 Q00G26 1/20 0.48
ABHD5 Q8WTS1 1/20 0.48
NPSR1 Q6W5P4 2/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
MAPK1 P28482 1/20 0.44
FBP1 P09467 1/20 0.40
HSD11B1 P28845 1/20 0.40
GAA P10253 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
LY96 Q9Y6Y9 1/20 0.38
DHODH Q02127 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
Benzene SCHEMBL29015144 0.98 MEN1 (0.50) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL6220713 0.84 MAPT (0.50) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL8432135 0.84 MEN1 (0.66) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL6220710 0.84 MAPT (0.50) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL27720032 0.83 MEN1 (0.49) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL27720090 0.83 MEN1 (0.49) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL28562987 0.83 MAPT (0.49) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL1676566 0.83 MEN1 (0.53) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL5903091 0.78 MAPT (0.60) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL5903089 0.78 MAPT (0.60) MEN1KMT2AMAPTLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115057776-A Synthesis method of 2-ethyl naphthoate derivative 必维申瓯质量技术服务温州有限公司 2022-09-16 CN claimed
CN-115057776-B Synthesis method of ethyl 2-naphthoate derivative 必维申瓯质量技术服务温州有限公司 2023-08-22 CN disclosed
CN-115057776-B Synthesis method of ethyl 2-naphthoate derivative 必维申瓯质量技术服务温州有限公司 2023-08-22 CN disclosed
CN-115057776-A Synthesis method of 2-ethyl naphthoate derivative 必维申瓯质量技术服务温州有限公司 2022-09-16 CN disclosed
CN-115057776-A Synthesis method of 2-ethyl naphthoate derivative 必维申瓯质量技术服务温州有限公司 2022-09-16 CN disclosed