SCHEMBL8014661

SCHEMBL8014661

CCCOc1ccccc1-c1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.61
RXRB P28702 1/20 0.61
RXRG P48443 1/20 0.61
EGFR P00533 1/20 0.54
KDM4E B2RXH2 8/20 0.53
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PKM P14618 1/20 0.52
RARB P10826 6/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
PTPN11 Q06124 1/20 0.51
RARG P13631 1/20 0.51
KMT2A Q03164 1/20 0.49

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
SCHEMBL7331535 0.92 RARB (0.63) RXRARXRBRXRGKDM4ERARB
SCHEMBL9723851 0.89 RARB (0.63) RXRARXRBRXRGKDM4ERARB
SCHEMBL3977527 0.89 RARB (0.63) RXRARXRBRXRGKDM4ERARB
SCHEMBL6266863 0.89 RARB (0.63) RXRARXRBRXRGKDM4ERARB
SCHEMBL10871804 0.89 RARB (0.63) RXRARXRBRXRGKDM4ERARB
SCHEMBL8986580 0.89 RARB (0.63) RXRARXRBRXRGKDM4ERARB
SCHEMBL8769909 0.89 RARB (0.63) RXRARXRBRXRGKDM4ERARB
SCHEMBL9799861 0.89 RARB (0.63) RXRARXRBRXRGKDM4ERARB
Hydrochloric Acid SCHEMBL8419152 0.87 RARB (0.62) RXRARXRBRXRGKDM4ERARB
SCHEMBL3550156 0.86 RXRA (0.66) RXRARXRBRXRGEGFRKDM4E

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-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed