SCHEMBL5117

SCHEMBL5117

C[C](C)CC1CCCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.40
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
CA9 Q16790 1/20 0.35
EPHX2 P34913 2/20 0.35
CHRM5 P08912 2/20 0.35

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
SCHEMBL9979182 1.00 EPHX1 (0.43) EPHX1HPGDKMT2ACYP1A2ADH1B
SCHEMBL9253989 1.00 EPHX1 (0.43) EPHX1HPGDKMT2ACYP1A2ADH1B
SCHEMBL95966 1.00 EPHX1 (0.43) EPHX1HPGDKMT2ACYP1A2ADH1B
SCHEMBL3032405 1.00 EPHX1 (0.43) EPHX1HPGDKMT2ACYP1A2ADH1B
SCHEMBL5708 1.00 EPHX1 (0.43) EPHX1HPGDKMT2ACYP1A2ADH1B
SCHEMBL5021 0.97
SCHEMBL5688 0.91
SCHEMBL349125 0.84
Cyclohexane SCHEMBL1245516 0.78 EPHX1 (0.50) EPHX1HPGDKMT2AADH1BADH1C
SCHEMBL3069324 0.78 EPHX1 (0.40) EPHX1HPGDKMT2ACYP1A2ADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004523599-A 2004-08-05 JP claimed
EP-1353961-A2 (CYCLOALKYL)METHYL SILANES AS EXTERNAL DONORS FOR POLYOLEFIN CATALYSTS ENGELHARD CORPORATION (US) 2003-10-22 EP claimed
WO-2002016444-A2 (CYCLOAKYL)METHYL SILANES AS EXTERNAL DONORS FOR POLYOLEFIN CATALYSTS ENGELHARD CORPORATION (US) 2002-02-28 WO claimed
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
EP-3653618-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2020-05-20 EP disclosed
EP-2755963-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-10-30 EP disclosed
CN-108135175-A Bicyclic compounds and their use for inhibition of SUV39H2 肿瘤疗法科学股份有限公司 2018-06-08 CN disclosed
CN-104379575-B Compounds and compositions for modulating EGFR activity 诺华股份有限公司 2018-04-17 CN disclosed
EP-2758388-B1 NEW BICYCLIC DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-02-21 EP disclosed
CN-107531697-A The ketone derivatives of 3 (base of 1H benzimidazoles 2) 1H pyridines 2 默克专利股份公司 2018-01-02 CN disclosed
EP-2838883-B1 NEW PHENYL-TETRAHYDROISOQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-11-08 EP disclosed
US-6277790-B1 APPLYING PLANTS, SEEDS, SOILS OR ENVIRONMENT BASF AKTIENGESELLSCHAFT (DE) 2001-08-21 US disclosed
US-6054413-A AGRICULTURE, HORTICULTURE BASF AKTIENGESELLSCHAFT (DE) 2000-04-25 US disclosed
US-6054412-A AGRICULTURE, HORTICULTURE BASF AKTIENGESELLSCHAFT (DE) 2000-04-25 US disclosed
US-5242919-A Antiinflammatory agents or hypotensive agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-07 US disclosed
US-5055474-A Antihypoxia, hypotensive, antiinflammatory agents; anoxia treatment OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 US disclosed
EP-0173331-B1 2,3-DIHYDRO-1H-INDENE DERIVATIVES, A PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 EP disclosed
US-4935426-A FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1990-06-19 US disclosed
US-4895847-A ANTIHYPOXIC, ANTIINFLAMMATORY, HYPOTENSIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-01-23 US disclosed
US-4788130-A ANTIHYDOXIC, HYPOTENSIVE, ANTIINFLAMMATORY AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-11-29 US disclosed