SCHEMBL6728402

SCHEMBL6728402

CC(=O)OCc1ccc(C(=O)NNC(=O)c2ccccc2C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
RAB9A P51151 5/20 0.43
MAPT P10636 3/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL3084919 0.82 MAPT (0.58) ALDH1A1RXRARXRBRAB9AMAPT
SCHEMBL3082525 0.78 RAB9A (0.62) ALDH1A1RAB9AMAPTHPGDGAA
SCHEMBL13411551 0.73 PLK1 (0.59) ALDH1A1RAB9AHPGDHTTSMN1; SMN2
SCHEMBL2092731 0.72 ALDH1A1 (0.60) ALDH1A1RXRARXRBRAB9AMAPT
SCHEMBL924479 0.71 CA1 (0.57) ALDH1A1RAB9ACYP2C9HPGDHTT
SCHEMBL132773 0.70 ALDH1A1 (0.78) ALDH1A1MAPTLMNAKDM4E
SCHEMBL924753 0.70 ALDH1A1 (0.57) ALDH1A1RAB9AMAPTCYP2C9HPGD
SCHEMBL11701842 0.70 ALDH1A1 (0.56) ALDH1A1RXRARXRBMAPTHPGD
SCHEMBL10946343 0.70 LMNA (0.43) ALDH1A1HPGDHTTGAALMNA
SCHEMBL8839378 0.69 RARA (0.48) ALDH1A1RXRARXRBRXRGRAB9A

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
US-20040059077-A1 Polymers for use in optical devices CAMBRIDGE DISPLAY TECHNOLOGY LTD. (GB) 2004-03-25 US disclosed