SCHEMBL21760463

SCHEMBL21760463

CC1(C)c2cc(C(=O)O)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
SRD5A2 P31213 2/20 0.41
TTR P02766 1/20 0.41
PDK2 Q15119 6/20 0.40
PTPRC P08575 2/20 0.40
POLB P06746 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NSD2 O96028 1/20 0.39
ESR1 P03372 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
ESR2 Q92731 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 3/20 0.38
SRD5A1 P18405 1/20 0.38
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL21760525 0.93 PDK2 (0.46) RXRARXRBRXRGSRD5A2TTR
SCHEMBL21760520 0.92 RARA (0.40) RXRARXRBRXRGSRD5A2TTR
SCHEMBL21765741 0.92 PDK2 (0.43) RXRARXRBRXRGSRD5A2TTR
SCHEMBL15602708 0.90 PDK2 (0.44) RXRARXRBRXRGSRD5A2TTR
SCHEMBL21760465 0.87 SIGMAR1 (0.36) RXRARXRBRXRGSRD5A2PDK2
SCHEMBL21760521 0.87 PDK2 (0.41) RXRARXRBRXRGTTRPDK2
SCHEMBL14069771 0.86 PDK2 (0.42) PDK2L3MBTL1TDP1KMT2AMEN1
SCHEMBL14340184 0.86 PDK2 (0.42) PDK2L3MBTL1TDP1KMT2AMEN1
SCHEMBL14340185 0.86 PDK2 (0.42) PDK2L3MBTL1TDP1KMT2AMEN1
SCHEMBL14340192 0.86 PDK2 (0.42) PDK2L3MBTL1TDP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11637256-B2 Quantum dots with charge-transporting ligands NANOSYS, INC. (US) 2023-04-25 US disclosed
WO-2020040982-A1 QUANTUM DOTS WITH CHARGE-TRANSPORTING LIGANDS NANOSYS, INC. (US) 2020-02-27 WO disclosed
US-20200067006-A1 QUANTUM DOTS WITH CHARGE-TRANSPORTING LIGANDS NANOSYS, INC. (US) 2020-02-27 US disclosed