SCHEMBL29015142

SCHEMBL29015142

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
GAA P10253 2/20 0.47
RAB9A P51151 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
ATM Q13315 1/20 0.45
THRB P10828 2/20 0.44
DHODH Q02127 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL29864809 1.00 MAOB (0.47) MAOBTSHRMAPTMEN1KMT2A
SCHEMBL15080878 0.89 MAPT (0.52) MAOBTSHRMAPTMEN1KMT2A
SCHEMBL29015139 0.86 TSHR (0.53) MAOBTSHRMAPTMEN1KMT2A
SCHEMBL29865007 0.86 TSHR (0.53) MAOBTSHRMAPTMEN1KMT2A
SCHEMBL29015141 0.86 TSHR (0.56) TSHRMAPTMEN1KMT2ANPC1
SCHEMBL29865130 0.84 TSHR (0.51) TSHRMAPTMEN1KMT2ANPC1
SCHEMBL29864992 0.84 ALDH1A1 (0.54) MAOBTSHRMAPTMEN1KMT2A
SCHEMBL29015145 0.84 ALDH1A1 (0.54) MAOBTSHRMAPTMEN1KMT2A
SCHEMBL29015146 0.84 TSHR (0.51) TSHRMAPTMEN1KMT2ANPC1
SCHEMBL4744480 0.83 TSHR (0.57) TSHRMAPTMEN1KMT2ANPC1

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