SCHEMBL9770686

SCHEMBL9770686

Cc1cc(C(C)(C)C)cc2c1CCC2(C)C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.49
RXRG P48443 6/20 0.45
RXRB P28702 6/20 0.40
POLB P06746 1/20 0.36
HTR1D P28221 2/20 0.32
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
CYP26A1 O43174 1/20 0.30
CYP26B1 Q9NR63 1/20 0.30
HTR1B P28222 1/20 0.30

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
SCHEMBL22235739 0.82 RXRA (0.47) RXRARXRGRXRBPOLB
SCHEMBL29498871 0.82 RXRA (0.47) RXRARXRGRXRBPOLB
SCHEMBL8012309 0.82 RXRA (0.50) RXRARXRGRXRBGABRA1GABRB2
SCHEMBL26987854 0.82 RXRA (0.50) RXRARXRGRXRB
SCHEMBL28665083 0.80 RXRA (0.48) RXRARXRGRXRB
SCHEMBL6538079 0.79 CASR (0.37) RXRARXRGRXRB
SCHEMBL112943 0.78 RXRA (0.63) RXRARXRGRXRBPOLBCYP26A1
SCHEMBL7085878 0.78 RXRA (0.44) RXRARXRGRXRB
SCHEMBL31276766 0.78 RXRA (0.50) RXRARXRGRXRB
SCHEMBL7081356 0.78 RXRA (0.50) RXRARXRGRXRB

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
CN-113122052-A Ink composition TCL集团股份有限公司 2021-07-16 CN disclosed
US-4987261-A Diaminoindane derivatives MITSUI TOATSU CHEMICALS, INC. (JP) 1991-01-22 US disclosed