SCHEMBL26384682

SCHEMBL26384682

CN1CCN(CCOCCCCCOCC(N)=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.46
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CES2 O00748 1/20 0.39
RAD52 P43351 1/20 0.39
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
TACR1 P25103 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
SCHEMBL20325180 0.98 PAOX (0.44) PAOXTHRATHRBRAB9AALDH1A1
SCHEMBL21421662 0.92 PAOX (0.46) PAOXTHRATHRBRAB9AALDH1A1
SCHEMBL24787986 0.86 PRMT5 (0.42) PAOXRAB9AALDH1A1POLBKMT2A
SCHEMBL21907165 0.83 HRH3 (0.47) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL20230963 0.82 PAOX (0.44) PAOXTHRATHRBRAB9AALDH1A1
SCHEMBL22266239 0.81 MEN1 (0.43) RAB9AALDH1A1KDM4EMEN1KMT2A
SCHEMBL22266186 0.81 HRH3 (0.50) ALDH1A1MEN1KMT2AHRH3
SCHEMBL22266180 0.81 L3MBTL1 (0.50) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL20230967 0.80 PRMT5 (0.43) PAOXRAB9AALDH1A1KDM4EPOLB
SCHEMBL19634433 0.80 GNAI3 (0.53) PAOXTHRATHRBRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3689868-B1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS INC (US) 2023-09-27 EP disclosed