SCHEMBL127186

SCHEMBL127186

[CH2]C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALOX15 P16050 1/20 0.38
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
PTPN1 P18031 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL28757123 0.97 KCNN4 (0.45) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL8766210 0.97 KCNN4 (0.45) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL9052398 0.86 NOTUM (0.48) KCNN4ALDH1A1TSHRCYP11B1CYP11B2
SCHEMBL3173030 0.79 KCNN4 (0.47) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL8522135 0.78 CA4 (0.54)
SCHEMBL9595065 0.78 CA4 (0.54)
SCHEMBL28672611 0.76 KCNN4 (0.45) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL11439383 0.76 KCNN4 (0.45) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL23525262 0.73 TSHR (0.58) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL10954237 0.73 TSHR (0.58) KCNN4ALDH1A1TSHRMAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118000196-A Pesticide preparation for reducing eucalyptus phytotoxicity and application thereof 广西田园生化股份有限公司 2024-05-10 CN claimed
CN-117447466-A Oxazole compound and preparation method and application thereof 中国科学院上海药物研究所 2024-01-26 CN claimed
US-20230357488-A1 CURABLE RESIN COMPOSITION CANON KK (JP) 2023-11-09 US claimed
CN-112300183-A Spiropyran derivative, optical/electric double-response membrane material and preparation method thereof 中国石油化工股份有限公司 2021-02-02 CN claimed
CN-110527251-A A kind of flame-retardant epoxy resin compound and its preparation method and application SHANDONG YUENENG NEW MATERIAL TECH CO LTD 2019-12-03 CN claimed
US-20190177469-A1 CURABLE RESIN COMPOSITION CANON KABUSHIKI KAISHA (JP) 2019-06-13 US claimed
CN-109666001-A A kind of method that multistep processes prepares Elagolix intermediate 安徽华胜医药科技有限公司 2019-04-23 CN claimed
CN-106085157-B A kind of method for preparing cryogenic curing resin 广东伊诗德新材料科技有限公司 2018-06-19 CN claimed
CN-106866899-A A kind of heat resistance modified vinylite 浙江诺比高分子材料有限公司 2017-06-20 CN claimed
CN-106085157-A A kind of method preparing cryogenic curing resin 广东伊诗德新材料科技有限公司 2016-11-09 CN claimed
WO-1997025351-A2 INHIBITORS OF MAdCAM-1-MEDIATED INTERACTIONS AND METHODS OF USE THEREFOR LEUKOSITE, INC. (US) 1997-07-17 WO claimed
EP-0781276-A1 PYRIMIDINONE DERIVATIVES BORYUNG PHARMACEUTICAL CO., LTD. (KR) 1997-07-02 EP claimed
US-5639741-A STEROIDS TREATING SKIN DISORDERS MERCK & CO., INC. (US) 1997-06-17 US claimed
WO-1996008476-A1 PYRIMIDINONE DERIVATIVES BORYUNG PHARMACEUTICAL CO., LTD. (KR) 1996-03-21 WO claimed
EP-0649431-A4 17-AMINO SUBSTITUTED 4-AZASTEROID 5-G(A)-REDUCTASE INHIBITORS. 1995-05-03 EP claimed
EP-0649431-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5$g(a)-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-04-26 EP claimed
WO-1993023038-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed
US-5175267-A Stereoselective glycosylation of hetercyclic bases UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1992-12-29 US claimed
EP-0427773-A1 METHOD OF PREPARATION OF 2',3'-DIDEOXYNUCLEOSIDES THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1991-05-22 EP claimed
WO-1990001492-A1 METHOD OF PREPARATION OF 2',3'-DIDEOXYNUCLEOSIDES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1990-02-22 WO claimed