SCHEMBL19977979

SCHEMBL19977979

CCCCCOCCC(=O)NCCC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.53
CNR1 P21554 3/20 0.50
NAAA Q02083 1/20 0.50
FAAH O00519 4/20 0.49
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
DNM1 Q05193 2/20 0.46
TLR2 O60603 2/20 0.46
EPHX1 P07099 1/20 0.46
CES2 O00748 1/20 0.44
CNR2 P34972 1/20 0.43
TSHR P16473 2/20 0.43
RECQL P46063 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
SCHEMBL2122730 0.94 CASP2 (0.50) CASP2CNR1NAAAFAAHDNM1
SCHEMBL20323905 0.89 TSHR (0.58) CASP2CNR1NAAAFAAHCYP2C19
SCHEMBL25574266 0.89 CASP2 (0.63) CASP2NAAAFAAHDNM1EPHX1
SCHEMBL25415126 0.88 NAAA (0.59) CASP2CNR1NAAAFAAHCNR2
SCHEMBL5165598 0.88 NAAA (0.59) CASP2CNR1NAAAFAAHCNR2
SCHEMBL20325515 0.87 FAAH (0.62) CASP2NAAAFAAHCYP1A2CYP3A4
SCHEMBL11912076 0.87 CASP2 (0.66) CASP2NAAAFAAHDNM1EPHX1
SCHEMBL2124347 0.86 CASP2 (0.44) CASP2CNR1NAAAFAAHDNM1
SCHEMBL22343243 0.86 CES2 (0.51) CASP2CNR1NAAAFAAHDNM1
SCHEMBL21233609 0.86 TSHR (0.49) CASP2CNR1NAAAFAAHDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512842-B1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS INC (US) 2024-01-17 EP disclosed
EP-3689868-B1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS INC (US) 2023-09-27 EP disclosed
WO-2021077010-A1 BIFUNCTIONAL MOLECULES CONTAINING AN E3 UBIQUITINE LIGASE BINDING MOIETY LINKED TO A BCL6 TARGETING MOIETY ARVINAS OPERATIONS, INC. (US) 2021-04-22 WO disclosed
WO-2021067606-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-04-08 WO disclosed
EP-3689868-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas Operations, Inc. (US) 2020-08-05 EP disclosed
WO-2020041331-A1 PROTEOLYSIS TARGETING CHIMERIC (PROTAC) COMPOUND WITH E3 UBIQUITIN LIGASE BINDING ACTIVITY AND TARGETING ALPHA-SYNUCLEIN PROTEIN FOR TREATING NEURODEGENERATIVE DISEASES ARVINAS OPERATIONS, INC. (US) 2020-02-27 WO disclosed
WO-2020023851-A1 BIFUNCTIONAL SUBSTITUED PYRIMIDINES AS MODULATORS OF FAK PROTEOLYSE YALE UNIVERSITY (US) 2020-01-30 WO disclosed
WO-2019199816-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2019-10-17 WO disclosed
WO-2019195201-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2019-10-10 WO disclosed
WO-2018119441-A9 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2019-10-10 WO disclosed
WO-2018144649-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME Arvinas, Inc. (US) 2018-08-09 WO disclosed
WO-2018140809-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-08-02 WO disclosed
WO-2018119448-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES Arvinas, Inc. (US) 2018-06-28 WO disclosed
WO-2018119357-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE Arvinas, Inc. (US) 2018-06-28 WO disclosed
WO-2018119441-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-06-28 WO disclosed
WO-2018118598-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF FETAL LIVER KINASE POLYPEPTIDES Arvinas, Inc. (US) 2018-06-28 WO disclosed
WO-2018102725-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas, Inc. (US) 2018-06-07 WO disclosed
WO-2018053354-A1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas, Inc. (US) 2018-03-22 WO disclosed