SCHEMBL21765741

SCHEMBL21765741

CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.43
RXRA P19793 3/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
SRD5A2 P31213 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
TTR P02766 1/20 0.39
PTPRC P08575 2/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
TDP2 O95551 1/20 0.37
NSD2 O96028 1/20 0.37
CASP3 P42574 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 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
SCHEMBL15602708 0.99 PDK2 (0.44) PDK2RXRARXRBRXRGRARB
SCHEMBL21760466 0.92 PDK2 (0.47) PDK2RXRARXRBRXRGRARB
SCHEMBL21760463 0.92 RXRA (0.41) PDK2RXRARXRBRXRGRARB
SCHEMBL21760525 0.91 PDK2 (0.46) PDK2RXRARXRBRXRGRARB
SCHEMBL8639207 0.91 PDK2 (0.45) PDK2
SCHEMBL1338609 0.89 PDK2 (0.46) PDK2CYP2C9MEN1KMT2A
SCHEMBL22000499 0.89 PDK2 (0.46) PDK2CYP2C9MEN1KMT2A
SCHEMBL14340229 0.89 PDK2 (0.46) PDK2CYP2C9MEN1KMT2A
SCHEMBL1753495 0.89 PDK2 (0.46) PDK2CYP2C9MEN1KMT2A
SCHEMBL3793714 0.89 PDK2 (0.46) PDK2CYP2C9MEN1KMT2A

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 2 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
US-20200067006-A1 QUANTUM DOTS WITH CHARGE-TRANSPORTING LIGANDS NANOSYS, INC. (US) 2020-02-27 US disclosed