SCHEMBL8036307

SCHEMBL8036307

CCOC(=O)CCn1cccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 3/20 0.46
TSHR P16473 1/20 0.45
KAT2B Q92831 1/20 0.44
CYP1A2 P05177 1/20 0.44
CREBBP Q92793 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TNF P01375 2/20 0.42
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL11539933 0.89 TNF (0.50) NPSR1LMNATSHRCYP1A2GAA
SCHEMBL27339302 0.85 NPSR1 (0.45) NPSR1LMNATSHRGAAALDH1A1
SCHEMBL131411 0.80 GAA (0.46) NPSR1TSHRGAAALDH1A1MEN1
SCHEMBL8045914 0.79 TSHR (0.50) LMNATSHRKAT2BALDH1A1MEN1
SCHEMBL2337869 0.79 GSK3A (0.50) TSHRMGAMGAASIMGAM2
SCHEMBL30715075 0.78 THRB (0.50) LMNAKAT2BCREBBPALDH1A1L3MBTL1
SCHEMBL47374 0.77 TBXAS1 (0.59) ALDH1A1
SCHEMBL130047 0.75 GAA (0.44) NPSR1LMNATSHRMGAMGAA
SCHEMBL28612177 0.73 TDP1 (0.45) NPSR1LMNATSHRCYP1A2ALDH1A1
SCHEMBL8036304 0.73 MGAM (0.41) LMNAKAT2BCYP1A2CREBBPMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114394898-A Preparation method of 5-oxohexanoate 山东智永化工产业技术研究院有限公司 2022-04-26 CN claimed
CN-114394898-A Preparation method of 5-oxohexanoate 山东智永化工产业技术研究院有限公司 2022-04-26 CN disclosed
US-6106999-A SENSITIVITY TO GENERAL-PURPOSE VISIBLE LIGHT LASER, SO THAT HIGH-SPEED SCANNING EXPOSURE IS POSSIBLE BY LASER, AND EXTREMELY FINE HIGH RESOLUTION CAN BE OBTAINED; CAN BE USED FOR COATING OR PRINTING UNDER SAFELIGHT IRRADIATING CONDITIONS MITSUI CHEMICALS (JP) 2000-08-22 US disclosed