SCHEMBL9824769

SCHEMBL9824769

CC(C)c1cccc2c3occc3cc-2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
HDAC4 P56524 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MDM4 O15151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
TYR P14679 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CA5A P35218 1/20 0.38
HTT P42858 1/20 0.38
MDM2 Q00987 1/20 0.38

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
SCHEMBL9825911 0.80 NOTUM (0.38) KDM4EALDH1A1TP53MAPT
SCHEMBL9826687 0.78 RAB9A (0.50) ALDH1A1TP53HPGDALOX15ALOX12
SCHEMBL9825550 0.75 SLC22A12 (0.40) ALDH1A1HPGDSMN1; SMN2
SCHEMBL9177215 0.73 RXRA (0.50) RXRARXRBRXRGHDAC4HDAC8
SCHEMBL5352034 0.72 RXRA (0.62) RXRARXRBRXRGHDAC4HDAC8
SCHEMBL9824842 0.71 PPARG (0.40) RXRARXRBRXRGHDAC4HDAC8
SCHEMBL26184965 0.70 MAPT (0.38) KDM4EALDH1A1TP53CYP3A4MAPT
SCHEMBL598181 0.70 RXRA (0.66) RXRARXRBRXRGHDAC4HDAC8
SCHEMBL24721526 0.69 ALDH1A1 (0.55) RXRARXRBRXRGHDAC4HDAC8
SCHEMBL10080952 0.69 PRMT6 (0.50) RXRARXRBRXRGKDM4EALDH1A1

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-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed
EP-0187015-B1 SQUARILIUM COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME MITSUBISHI KASEI CORPORATION (JP) 1991-05-29 EP disclosed