SCHEMBL6129603

SCHEMBL6129603

C1=COC(Cc2ccccc2)C=C1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TAAR1 Q96RJ0 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CTRB1 P17538 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CALM1 P0DP23 1/20 0.32
TLR9 Q9NR96 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
FASN P49327 1/20 0.32

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
SCHEMBL4727614 0.69 GBA1 (0.34) GBA1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL31004913 0.69 TAAR1 (0.40) ALDH1A1HPGDALOX15HSD17B10TAAR1
SCHEMBL28046926 0.69 MAPT (0.42) ALDH1A1HPGDALOX15TDP1
SCHEMBL31745714 0.69 TDP1 (0.54) ALDH1A1TDP1
SCHEMBL4623291 0.69 CALM1 (0.41) GBA1ALDH1A1CALM1NOS1NOS2
SCHEMBL7564162 0.68 GRIN2B (0.39) HSD17B10SLC6A3TDP1
SCHEMBL38663786 0.68
SCHEMBL5794073 0.67 CALM1 (0.39) GBA1ALDH1A1CALM1NOS1NOS2
SCHEMBL56215 0.67 TAAR1 (0.41) GBA1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL10961749 0.65 TAAR1 (0.34) GBA1TAAR1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109845611-A A kind of dedicated organic substrate of cucumber 丹阳市大丰收苗木专业合作社 2019-06-07 CN disclosed
CN-109809944-A A kind of high-efficiency compound fertilizer for preventing and treating tomato blossom-end rot 丹阳市陵口镇柳旺土地股份专业合作社 2019-05-28 CN disclosed
CN-100537569-C Method for preparing adenine by hydrolyzing adenosine in high temperature liquid water without catalyst UNIV ZHEJIANG (CN) 2009-09-09 CN disclosed
CN-101125854-A Method for preparing adenine by hydrolyzing adenosine in high temperature liquid water without catalyst UNIV ZHEJIANG (CN) 2008-02-20 CN disclosed
EP-1043991-A4 TREATMENT FOR ALZHEIMER'S DISEASE LILLY CO ELI (US) 2005-02-02 EP disclosed
WO-2002072582-A1 METHODS FOR THE SYNTHESIS OF DENSELY FUNCTIONALIZED PYRROLIDINE TEMPLATE LIBRARIES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-09-19 WO disclosed
CN-1335881-A UME extract having medicinal effects and compositions containing the same AZUMANOEN CO LTD (JP) 2002-02-13 CN disclosed
EP-1043991-A1 TREATMENT FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 2000-10-18 EP disclosed
WO-1999025340-A1 TREATMENT FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1999-05-27 WO disclosed