SCHEMBL29865130

SCHEMBL29865130

CCOC(=O)c1cc2ccccc2cc1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HPGD P15428 3/20 0.51
GAA P10253 3/20 0.51
LMNA P02545 2/20 0.49
PRKCZ Q05513 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HSD17B10 Q99714 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
MAPK14 Q16539 1/20 0.47
MAPT P10636 2/20 0.47

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
SCHEMBL29015146 1.00 TSHR (0.51) TSHRKDM4EALDH1A1MEN1KMT2A
SCHEMBL29015139 0.89 TSHR (0.53) TSHRKDM4EALDH1A1MEN1KMT2A
SCHEMBL29865007 0.89 TSHR (0.53) TSHRKDM4EALDH1A1MEN1KMT2A
SCHEMBL29015141 0.88 TSHR (0.56) TSHRKDM4EALDH1A1MEN1KMT2A
SCHEMBL31623399 0.88 PRKCZ (0.56) TSHRKDM4EALDH1A1MEN1KMT2A
SCHEMBL29015145 0.86 ALDH1A1 (0.54) TSHRKDM4EALDH1A1MEN1KMT2A
SCHEMBL29864992 0.86 ALDH1A1 (0.54) TSHRKDM4EALDH1A1MEN1KMT2A
SCHEMBL29864809 0.84 MAOB (0.47) TSHRKDM4EALDH1A1MEN1KMT2A
SCHEMBL29015142 0.84 MAOB (0.47) TSHRKDM4EALDH1A1MEN1KMT2A
SCHEMBL8601174 0.82 SLC6A4 (0.69) TSHRKDM4EALDH1A1MEN1KMT2A

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-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