SCHEMBL9754845

SCHEMBL9754845

COC1(C)CC(C)(C)c2ccc(Oc3ccc(N=C=O)cc3)cc2O1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33

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
SCHEMBL9847530 0.89 CYP3A4 (0.33) RXRARXRBRXRG
SCHEMBL9847527 0.88 RXRA (0.32) RXRARXRBRXRG
SCHEMBL9847603 0.87 RXRA (0.31) RXRARXRBRXRG
SCHEMBL9847558 0.82 PPARA (0.38)
SCHEMBL9749135 0.81 ALDH1A1 (0.44) RXRARXRBRXRG
SCHEMBL9748606 0.79 ALDH1A1 (0.41)
SCHEMBL9847566 0.78
SCHEMBL9754850 0.75 MTNR1B (0.38) RXRARXRBRXRG
SCHEMBL8464205 0.74 RXRA (0.36) RXRARXRBRXRG
SCHEMBL9847591 0.73 HIF1A (0.33)

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
JP-3193777-A None JP disclosed
JP-H03193777-A 4-(2-ALKOXY-2,3-DIHYDRO-7-BENZOPYRANYLOXY)PHENYL ISOCYANATE AND PRODUCTION THEREOF MITSUI PETROCHEM IND LTD 1991-08-23 JP disclosed
EP-0434074-A2 Process for the production of 1-lower alkoxy-1-lower alkyl-3-substituted phenylurea, and intermediate thereof and process for the production of the intermediate MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-06-26 EP disclosed