SCHEMBL21760520

SCHEMBL21760520

CC1(C)c2cc(C(=O)O)ccc2-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.40
RARB P10826 5/20 0.40
RARG P13631 5/20 0.40
CYP26A1 O43174 1/20 0.40
CYP26B1 Q9NR63 1/20 0.40
PTGES O14684 2/20 0.37
ALOX5 P09917 2/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SRD5A2 P31213 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
TTR P02766 1/20 0.35

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
SCHEMBL21760521 0.94 PDK2 (0.41) RARARARBRARGCYP26A1CYP26B1
SCHEMBL21760463 0.92 RXRA (0.41) RARBRARGRXRARXRBRXRG
SCHEMBL14207063 0.89 NPC1 (0.43) RARARARBRARGCYP26A1CYP26B1
SCHEMBL10010140 0.88 PDK2 (0.37) MEN1KMT2AALDH1A1SMN1; SMN2PDK2
SCHEMBL21760525 0.86 PDK2 (0.46) RARBRARGRXRARXRBRXRG
SCHEMBL14073273 0.86 ALDH1A1 (0.37) MEN1KMT2AALDH1A1SMN1; SMN2PDK2
SCHEMBL14263668 0.85 PDK2 (0.38) MEN1KMT2AALDH1A1PDK2KDM4E
SCHEMBL21760465 0.85 SIGMAR1 (0.36) RARARARBRARGRXRARXRB
SCHEMBL21765741 0.85 PDK2 (0.43) RARBRARGRXRARXRBRXRG
SCHEMBL15306335 0.84 PDK2 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2PDK2

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