SCHEMBL4830828

SCHEMBL4830828

O=C(C1CCc2ccccc21)C1CCc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.62
KCNQ2 O43526 1/20 0.49
IDO1 P14902 2/20 0.46
PDPK1 O15530 1/20 0.46
ACP3 P15309 1/20 0.46
CRBN Q96SW2 1/20 0.45
SLC18A3 Q16572 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL907688 0.86 PIN1 (0.60) PIN1KCNQ2IDO1PDPK1ACP3
SCHEMBL12431131 0.86 PIN1 (0.60) PIN1KCNQ2IDO1PDPK1ACP3
SCHEMBL1400973 0.86 PIN1 (0.60) PIN1KCNQ2IDO1PDPK1ACP3
SCHEMBL1567245 0.86 PIN1 (0.60) PIN1KCNQ2IDO1PDPK1ACP3
SCHEMBL2790690 0.86 PIN1 (0.60) PIN1KCNQ2IDO1PDPK1ACP3
SCHEMBL5609883 0.84 PIN1 (0.58) PIN1KCNQ2IDO1PDPK1ACP3
SCHEMBL643577 0.84 PIN1 (0.58) PIN1KCNQ2IDO1PDPK1ACP3
SCHEMBL8848989 0.84 PIN1 (0.58) PIN1KCNQ2IDO1PDPK1ACP3
Hydrochloric Acid SCHEMBL7213722 0.84 PIN1 (0.58) PIN1KCNQ2IDO1PDPK1TSHR
SCHEMBL2475968 0.84 PIN1 (0.58) PIN1KCNQ2IDO1PDPK1ACP3

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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110330442-A A kind of 2,2- bis- replaces the synthetic method of indane ketone compound 常州大学 2019-10-15 CN claimed
CN-107880062-A A kind of organic photovoltaic donor small molecule material and its preparation method and application 苏州大学 2018-04-06 CN claimed
CN-105348062-B Preparation method of 3-aryl-1-indanone derivate 清华大学 2017-03-22 CN claimed
CN-103906733-A TRMP8 antagonists and their use in treatments AMGEN INC 2014-07-02 CN claimed
CN-115894141-A Synthesis method of acylindene derivatives 贺州学院 2023-04-04 CN disclosed
CN-104662155-B Plants with enhanced tolerance to herbicides 巴斯夫农业公司 2020-11-27 CN disclosed
CN-110330442-A A kind of 2,2- bis- replaces the synthetic method of indane ketone compound 常州大学 2019-10-15 CN disclosed
CN-110330442-A A kind of 2,2- bis- replaces the synthetic method of indane ketone compound 常州大学 2019-10-15 CN disclosed
CN-110330442-A A kind of 2,2- bis- replaces the synthetic method of indane ketone compound 常州大学 2019-10-15 CN disclosed
CN-105712993-B Compound for organic electro-optic device and organic electro-optic device and imaging sensor including it 三星电子株式会社 2019-10-01 CN disclosed
CN-107207999-B Lightening compositions 荷兰联合利华有限公司 2019-09-27 CN disclosed
CN-106661504-B Lightening compositions 荷兰联合利华有限公司 2019-07-12 CN disclosed
EP-0785989-A4 MICROBIAL SYNTHESIS OF HIV PROTEASE INHIBITORS MERCK & CO INC (US) 1998-01-28 EP disclosed
EP-0785786-A4 MICROBIAL SYNTHESIS OF HIV PROTEASE INHIBITORS MERCK & CO INC (US) 1998-01-28 EP disclosed
EP-0785989-A1 MICROBIAL SYNTHESIS OF HIV PROTEASE INHIBITORS Merck & Co., Inc. (US) 1997-07-30 EP disclosed
EP-0785786-A1 MICROBIAL SYNTHESIS OF HIV PROTEASE INHIBITORS Merck & Co., Inc. (US) 1997-07-30 EP disclosed
WO-1996012790-A1 MICROBIAL SYNTHESIS OF HIV PROTEASE INHIBITORS MERCK & CO., INC. (US) 1996-05-02 WO disclosed
WO-1996012492-A1 MICROBIAL SYNTHESIS OF HIV PROTEASE INHIBITORS MERCK & CO., INC. (US) 1996-05-02 WO disclosed
CN-1029960-C Process for preparing chromanol derivatives having neuroprotective effect PFIZER (US) 1995-10-11 CN disclosed
CN-1053923-A 3-piperidino-(1-position only)-4-hydroxy benzo dichloro-pyran derivative with neuroprotective PFIZER (US) 1991-08-21 CN disclosed