SCHEMBL9856951

SCHEMBL9856951

CCC(=O)c1ccc2ccccc2c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.57
CYP1A1 P04798 2/20 0.56
CYP1B1 Q16678 2/20 0.56
LMNA P02545 2/20 0.52
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.49
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.44
HCRTR1 O43613 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
SCHEMBL4828413 0.87 HPGD (0.57) HPGDCYP1A1CYP1B1LMNARAB9A
SCHEMBL29503822 0.86 HPGDS (0.59) HPGDCYP1A1CYP1B1LMNARAB9A
SCHEMBL4524433 0.86 HPGDS (0.59) HPGDCYP1A1CYP1B1LMNARAB9A
SCHEMBL9371365 0.83 CYP1A1 (0.56) HPGDCYP1A1CYP1B1LMNARAB9A
SCHEMBL18288048 0.83 HPGD (0.63) HPGDCYP1A1CYP1B1LMNARAB9A
SCHEMBL4831696 0.82 HPGD (0.52) HPGDCYP1A1CYP1B1LMNARAB9A
SCHEMBL1671110 0.81 CYP1A1 (0.64) HPGDCYP1A1CYP1B1LMNARAB9A
SCHEMBL4135870 0.81 HPGD (0.61) HPGDCYP1A1CYP1B1LMNARAB9A
SCHEMBL11030723 0.81 CDC25B (0.58) HPGDCYP1A1CYP1B1LMNARAB9A
Methoxymethane SCHEMBL27714007 0.81 CYP1A1 (0.57) CYP1A1CYP1B1LMNAKDM4EMEN1

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-113563194-A Method for synthesizing D, L-naproxen ester and for preparing naproxen by resolution 泮珍 2021-10-29 CN disclosed
CN-213160168-U Device for treating waste gas of production workshop of acryloylnaphthyl methyl ether 江苏八巨药业有限公司 2021-05-11 CN disclosed
CN-108530278-A A kind of preparation method of D, L- naproxen 江苏八巨药业有限公司 2018-09-14 CN disclosed
CN-108440275-A A kind of recycling D, L- naproxen methylester material prepare D, the method for L- naproxens 江苏八巨药业有限公司 2018-08-24 CN disclosed
EP-0426846-A1 FLUORINATED-AROMATIC SULFONIC ACID CATALYST, PROCESS FOR ITS PRODUCTION, AND ITS USE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-05-15 EP disclosed