SCHEMBL4742293

SCHEMBL4742293

COc1ccc2c(c1C(=O)O)Cc1ccccc1O2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.55
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACSL1 P33121 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39

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
SCHEMBL4742281 0.85 ALOX5 (0.41) ALOX5MAOAMAOBMEN1ALDH1A1
SCHEMBL4745471 0.85 CXCR5 (0.42) ALOX5MAOAMAOBKDM4EMEN1
SCHEMBL4742918 0.82 CA9 (0.39) ALOX5CA9MAOAMAOBALDH1A1
SCHEMBL4742913 0.81 ALOX5 (0.38) ALOX5MAOAMAOBACSL1
SCHEMBL1672256 0.81 MAOA (0.47) ALOX5MAOAMAOBKDM4EMEN1
SCHEMBL4743732 0.80 PTPN11 (0.43) MEN1ALDH1A1MAPTKMT2A
SCHEMBL4742255 0.80 PTPN11 (0.43) MEN1ALDH1A1MAPTKMT2A
SCHEMBL4747022 0.80 PTPN11 (0.43) MEN1ALDH1A1MAPTKMT2A
SCHEMBL4746926 0.80 PTPN11 (0.43) MEN1ALDH1A1MAPTKMT2A
SCHEMBL4745086 0.80 PTPN11 (0.43) MEN1ALDH1A1MAPTKMT2A

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-111303326-B Polyolefin material with controllable degradation units and high monomer utilization rate and preparation method thereof 中国科学技术大学 2021-07-06 CN disclosed
CN-111303326-A Polyolefin material with controllable degradation units and high monomer utilization rate and preparation method thereof 中国科学技术大学 2020-06-19 CN disclosed
WO-2008113814-A1 ORGANIC MOLYBDENUM COMPOUNDS, USE THEREOF AS FRICTION- MODIFIERS AND LUBRICATING COMPOSITIONS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2008-09-25 WO disclosed