SCHEMBL2749448

SCHEMBL2749448

Cc1ccc(C=Cc2cccc(C=Cc3ccc(C)cc3)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 8/20 0.73
RELA Q04206 3/20 0.57
ALOX5 P09917 2/20 0.54
PTGS1 P23219 2/20 0.54
PTGS2 P35354 2/20 0.54
CYP19A1 P11511 1/20 0.50
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48
TUBA1C Q9BQE3 1/20 0.48
TUBB6 Q9BUF5 1/20 0.48
TUBB2B Q9BVA1 1/20 0.48

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
SCHEMBL16105651 0.91 RELA (0.69) NFE2L2RELAALOX5PTGS1PTGS2
SCHEMBL16105653 0.91 RELA (0.69) NFE2L2RELAALOX5PTGS1PTGS2
SCHEMBL16105706 0.91 RELA (0.69) NFE2L2RELAALOX5PTGS1PTGS2
SCHEMBL13347431 0.89 NFE2L2 (0.61) NFE2L2RELAALOX5PTGS1PTGS2
SCHEMBL4402172 0.88 NFE2L2 (0.59) NFE2L2RELAALOX5PTGS1PTGS2
SCHEMBL10116892 0.88 NFE2L2 (0.59) NFE2L2RELAALOX5PTGS1PTGS2
SCHEMBL1179749 0.85 RELA (0.74) NFE2L2RELAALOX5PTGS1PTGS2
SCHEMBL1179750 0.85 RELA (0.74) NFE2L2RELAALOX5PTGS1PTGS2
SCHEMBL29673932 0.85 RELA (0.74) NFE2L2RELAALOX5PTGS1PTGS2
SCHEMBL15177970 0.85 APP (0.67) NFE2L2RELAALOX5PTGS1PTGS2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3081744-A None JP disclosed
US-8178641-B2 Amino group-containing conjugated diene polymer and method for producing the same, and block copolymer and method for producing the same JSR CORPORATION (JP) 2012-05-15 US disclosed
US-20100267918-A1 AMINO GROUP-CONTAINING CONJUGATED DIENE POLYMER AND METHOD FOR PRODUCING THE SAME, AND BLOCK COPOLYMER AND METHOD FOR PRODUCING THE SAME JSR CORPORATION (JP) 2010-10-21 US disclosed
JP-H0381744-A ORGANIC NONLINEAR OPTICAL MATERIAL SEKISUI CHEM CO LTD 1991-04-08 JP disclosed
US-4827044-A GRIGNARD REACTION IN PRESENCE OF MANGANOUS DOUBLE SALT SOCIETE NATIONALE ELF AQUITAINE (FR) 1989-05-02 US disclosed