SCHEMBL29324305

SCHEMBL29324305

CCOC(=O)c1cn(CCNC(=O)OC(C)(C)C)c2ccccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
CAMK2D Q13557 3/20 0.47
LMNA P02545 2/20 0.46
CNR2 P34972 4/20 0.46
CREBBP Q92793 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
P2RX3 P56373 1/20 0.44

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
SCHEMBL29324307 0.87 LMNA (0.53) CAMK2DLMNACNR2
SCHEMBL13008033 0.86 LMNA (0.50) CNR1TDP1CAMK2DLMNACNR2
SCHEMBL14333263 0.86 CNR1 (0.58) CNR1CAMK2DLMNACNR2CREBBP
SCHEMBL2013170 0.84 CYP19A1 (0.57) CNR1CAMK2DLMNACNR2CREBBP
SCHEMBL23915480 0.82 LMNA (0.58) CNR1TDP1LMNACREBBPALDH1A1
SCHEMBL9354163 0.82 CAMK2D (0.49) CNR1CAMK2DLMNACNR2ALDH1A1
SCHEMBL4656142 0.81 LMNA (0.53) CNR1TDP1CAMK2DLMNACNR2
SCHEMBL29324341 0.81 KDM4E (0.50) TDP1LMNAKDM4EALDH1A1
SCHEMBL4653711 0.80 P2RX3 (0.41) CNR1TDP1CAMK2DLMNACNR2
SCHEMBL18833435 0.79 CNR1 (0.68) CNR1TDP1LMNACNR2

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
WO-2024151425-A1 COMPOUNDS AND METHOD FOR TREATING HIV INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-07-18 WO disclosed